MMsINC Database Search


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MMsINC code: MMs00022520

Type: Neutral
Formula: C₁₉H₁₇O₄P

SMILES:

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

InChI:

InChI=1/C19H17O4P/c1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h2-15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0568 kcal/mol

Physical Properties
Molecular Weight: 340.315 g/mol	logS: -5.4461	SlogP: 4.56972	Reactive groups: 0

Topological Properties
Globularity: 0.0645731	Sterimol/B1: 2.3456	Sterimol/B2: 4.16734	Sterimol/B3: 5.2646
Sterimol/B4: 6.99574	Sterimol/L: 15.392

Surface and Volume Properties
Accessible surface: 558.778	Positive charged surface: 293.205	Negative charged surface: 265.573	Volume: 316.625
Hydrophobic surface: 514.447	Hydrophilic surface: 44.331

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.