InChIKey | LDEKQSIMHVQZJK-UZFIYRAASA-N |
---|---|
Inchi | 1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33?/m1/s1/i5D,6D,7D,8D,9D |
SMILES | P(C([H])([H])O[C@]([H])(C([H])([H])[H])C([H])([H])N1C([H])=NC2=C(N([H])[H])N=C([H])N=C12)(N([H])[C@]([H])(C(=O)OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(=O)OC1C([2H])=C([2H])C([2H])=C([2H])C=1[2H] |
氢键供体数量 | 2 |
---|---|
氢键受体数量 | 10 |
可旋转化学键数量 | 12 |
重原子数量 | 33 |
复杂度 | 680 |
疏水参数计算参考值(XlogP) | 1.9 |
拓扑分子极性表面积 | 144 |