MMsINC Database Search


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MMsINC code: MMs02994716

Type: Neutral
Formula: C₂₂H₂₃OP

SMILES:

P(=O)(CCc1ccccc1)(CCc1ccccc1)c1ccccc1

InChI:

InChI=1/C22H23OP/c23-24(22-14-8-3-9-15-22,18-16-20-10-4-1-5-11-20)19-17-21-12-6-2-7-13-21/h1-15H,16-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1468 kcal/mol

Physical Properties
Molecular Weight: 334.399 g/mol	logS: -4.58486	SlogP: 4.09014	Reactive groups: 0

Topological Properties
Globularity: 0.0949462	Sterimol/B1: 3.03892	Sterimol/B2: 3.07542	Sterimol/B3: 4.8855
Sterimol/B4: 9.01154	Sterimol/L: 17.1749

Surface and Volume Properties
Accessible surface: 630.188	Positive charged surface: 346.486	Negative charged surface: 283.702	Volume: 351.875
Hydrophobic surface: 608.879	Hydrophilic surface: 21.309

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.