MMsINC Database Search


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MMsINC code: MMs03523800

Type: Neutral
Formula: C₂₀H₁₉O₄P

SMILES:

P(Oc1ccccc1C)(Oc1ccc(cc1)C)(Oc1ccccc1)=O

InChI:

InChI=1/C20H19O4P/c1-16-12-14-19(15-13-16)23-25(21,22-18-9-4-3-5-10-18)24-20-11-7-6-8-17(20)2/h3-15H,1-2H3/t25-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6144 kcal/mol

Physical Properties
Molecular Weight: 354.342 g/mol	logS: -5.60657	SlogP: 4.87814	Reactive groups: 0

Topological Properties
Globularity: 0.167281	Sterimol/B1: 2.69694	Sterimol/B2: 4.15631	Sterimol/B3: 4.60855
Sterimol/B4: 8.36477	Sterimol/L: 15.106

Surface and Volume Properties
Accessible surface: 586.495	Positive charged surface: 337.06	Negative charged surface: 249.434	Volume: 334.25
Hydrophobic surface: 559.362	Hydrophilic surface: 27.133

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