Type: Ionized
Formula: C6H10O9P-3
SMILES: |
P(OCC(O)C(O)C(O)CC(=O)[O-])(=O)([O-])[O-] |
InChI: |
InChI=1/C6H13O9P/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14/h3-4,6-8,11H,1-2H2,(H,9,10)(H2,12,13,14)/p-3/t3-,4+,6+/m0/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 257.111 g/mol | logS: 1.15079 | SlogP: -6.0158 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.0843291 | Sterimol/B1: 2.51173 | Sterimol/B2: 3.28971 | Sterimol/B3: 3.34896 |
Sterimol/B4: 4.25956 | Sterimol/L: 14.3737 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 407.831 | Positive charged surface: 171.323 | Negative charged surface: 236.508 | Volume: 183.375 |
Hydrophobic surface: 100.13 | Hydrophilic surface: 307.701 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 5 | 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: 0 | Oprea's lead like rule: 0 | |
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