Type: Neutral
Formula: C5H12NO9P
SMILES: |
P(OCC(O)C(O)C(O)C(=O)NO)(O)(O)=O |
InChI: |
InChI=1/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3+,4-/m0/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 261.123 g/mol | logS: 1.35009 | SlogP: -4.3864 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.0721678 | Sterimol/B1: 3.06651 | Sterimol/B2: 3.40215 | Sterimol/B3: 3.52453 |
Sterimol/B4: 4.1317 | Sterimol/L: 14.4224 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 429.387 | Positive charged surface: 238.942 | Negative charged surface: 190.444 | Volume: 187.25 |
Hydrophobic surface: 68.5387 | Hydrophilic surface: 360.8483 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 8 | Hydrogen bond acceptors: 9 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 3 | | | |
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Drug- and Lead-like Properties | | | |
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 | |
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Ions/Tautomers related molecules
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