MMsINC Database Search


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MMsINC code: MMs03777234

Type: Neutral
Formula: C₇H₉O₅P

SMILES:

P(O)(O)(=O)C(O)c1ccc(O)cc1

InChI:

InChI=1/C7H9O5P/c8-6-3-1-5(2-4-6)7(9)13(10,11)12/h1-4,7-9H,(H2,10,11,12)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.3657 kcal/mol

Physical Properties
Molecular Weight: 204.118 g/mol	logS: -0.00516	SlogP: -0.4139	Reactive groups: 0

Topological Properties
Globularity: 0.121302	Sterimol/B1: 2.42927	Sterimol/B2: 3.04916	Sterimol/B3: 3.57567
Sterimol/B4: 4.85795	Sterimol/L: 11.7085

Surface and Volume Properties
Accessible surface: 365.568	Positive charged surface: 194.642	Negative charged surface: 170.926	Volume: 163.25
Hydrophobic surface: 148.535	Hydrophilic surface: 217.033

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.