MMsINC Database Search


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MMsINC code: MMs03523801

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3373 kcal/mol

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

Topological Properties
Globularity: 0.153207	Sterimol/B1: 3.87526	Sterimol/B2: 4.81516	Sterimol/B3: 4.88679
Sterimol/B4: 6.23988	Sterimol/L: 14.9677

Surface and Volume Properties
Accessible surface: 581.888	Positive charged surface: 334.985	Negative charged surface: 246.903	Volume: 334.375
Hydrophobic surface: 554.715	Hydrophilic surface: 27.173

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.