MMsINC Database Search


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MMsINC code: MMs03241842

Type: Neutral
Formula: C₂₀H₂₀NOP

SMILES:

P(=O)(Cc1ccccc1)(Cc1ccccc1)Cc1ncccc1

InChI:

InChI=1/C20H20NOP/c22-23(15-18-9-3-1-4-10-18,16-19-11-5-2-6-12-19)17-20-13-7-8-14-21-20/h1-14H,15-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.6125 kcal/mol

Physical Properties
Molecular Weight: 321.36 g/mol	logS: -3.30074	SlogP: 5.0741	Reactive groups: 0

Topological Properties
Globularity: 0.215177	Sterimol/B1: 3.19909	Sterimol/B2: 3.80257	Sterimol/B3: 4.33326
Sterimol/B4: 9.08143	Sterimol/L: 13.343

Surface and Volume Properties
Accessible surface: 574.904	Positive charged surface: 348.194	Negative charged surface: 226.71	Volume: 328
Hydrophobic surface: 557.659	Hydrophilic surface: 17.245

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.