MMsINC Database Search


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MMsINC code: MMs02349422

Type: Neutral
Formula: C₁₂H₁₁O₄P

SMILES:

P(O)(O)(=O)c1ccc(Oc2ccccc2)cc1

InChI:

InChI=1/C12H11O4P/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.06537 kcal/mol

Physical Properties
Molecular Weight: 250.19 g/mol	logS: -2.52759	SlogP: 1.2117	Reactive groups: 0

Topological Properties
Globularity: 0.0943851	Sterimol/B1: 2.90479	Sterimol/B2: 3.51361	Sterimol/B3: 3.78629
Sterimol/B4: 4.83833	Sterimol/L: 14.2118

Surface and Volume Properties
Accessible surface: 452.777	Positive charged surface: 233.506	Negative charged surface: 219.271	Volume: 220.375
Hydrophobic surface: 317.988	Hydrophilic surface: 134.789

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.