Type: Neutral
Formula: C7H12NO7P
| SMILES: |
P(OC1C=C(CC(N)C1O)C(O)=O)(O)(O)=O |
| InChI: |
InChI=1/C7H12NO7P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,9H,1,8H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1 |
MOE's Descriptors
| Physical Properties | | | |
| Molecular Weight: 253.147 g/mol | logS: 0.79359 | SlogP: -2.503 | Reactive groups: 0 |
| | | | |
| Topological Properties | | | |
| Globularity: 0.147735 | Sterimol/B1: 3.31663 | Sterimol/B2: 3.49584 | Sterimol/B3: 3.89011 |
| Sterimol/B4: 5.34393 | Sterimol/L: 12.3303 | | | |
| | | | |
| Surface and Volume Properties | | | |
| Accessible surface: 416.914 | Positive charged surface: 246.554 | Negative charged surface: 170.36 | Volume: 193.375 |
| Hydrophobic surface: 83.8075 | Hydrophilic surface: 333.1065 | | |
| | | | |
| Pharmacophoric Properties | | | |
| Hydrogen bond donors: 7 | Hydrogen bond acceptors: 8 | Acid groups: 0 | Basic groups: 0 |
| Chiral centers: 3 | | | |
| | | | |
| Drug- and Lead-like Properties | | | |
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | |
| |
search links for this molecule: |
|
 |
|
|
Ions/Tautomers related molecules
|
