MMsINC Database Search


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MMsINC code: MMs02994977

Type: Neutral
Formula: C₂₄H₁₇ClO

SMILES:

Clc1ccc(cc1)-c1cc(-c2ccccc2)c(O)c(c1)-c1ccccc1

InChI:

InChI=1/C24H17ClO/c25-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)24(26)23(16-20)19-9-5-2-6-10-19/h1-16,26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.175 kcal/mol

Physical Properties
Molecular Weight: 356.852 g/mol	logS: -9.03636	SlogP: 7.0466	Reactive groups: 0

Topological Properties
Globularity: 0.0701702	Sterimol/B1: 2.42825	Sterimol/B2: 3.08545	Sterimol/B3: 3.40852
Sterimol/B4: 12.1955	Sterimol/L: 14.8988

Surface and Volume Properties
Accessible surface: 625.131	Positive charged surface: 278.01	Negative charged surface: 327.477	Volume: 349.375
Hydrophobic surface: 599.706	Hydrophilic surface: 25.425

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

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Ions/Tautomers related molecules: no related molecules available.