MMsINC Database Search


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MMsINC code: MMs03001072

Type: Neutral
Formula: C₁₉H₁₇O₄P

SMILES:

P(Oc1ccccc1)(Oc1ccccc1)(OCc1ccccc1)=O

InChI:

InChI=1/C19H17O4P/c20-24(22-18-12-6-2-7-13-18,23-19-14-8-3-9-15-19)21-16-17-10-4-1-5-11-17/h1-15H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0073 kcal/mol

Physical Properties
Molecular Weight: 340.315 g/mol	logS: -5.038	SlogP: 4.6655	Reactive groups: 0

Topological Properties
Globularity: 0.0955012	Sterimol/B1: 3.03953	Sterimol/B2: 3.46819	Sterimol/B3: 3.69393
Sterimol/B4: 8.39394	Sterimol/L: 16.4054

Surface and Volume Properties
Accessible surface: 598.228	Positive charged surface: 338.616	Negative charged surface: 259.611	Volume: 320.125
Hydrophobic surface: 565.257	Hydrophilic surface: 32.971

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.