MMsINC Database Search


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MMsINC code: MMs02916494

Type: Neutral
Formula: C₂₄H₁₇ClO₃

SMILES:

Clc1ccccc1OC(=O)c1cc(ccc1)COc1cc2c(cc1)cccc2

InChI:

InChI=1/C24H17ClO3/c25-22-10-3-4-11-23(22)28-24(26)20-9-5-6-17(14-20)16-27-21-13-12-18-7-1-2-8-19(18)15-21/h1-15H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.672 kcal/mol

Physical Properties
Molecular Weight: 388.85 g/mol	logS: -7.92939	SlogP: 6.5578	Reactive groups: 0

Topological Properties
Globularity: 0.0540325	Sterimol/B1: 3.35152	Sterimol/B2: 3.72176	Sterimol/B3: 4.48725
Sterimol/B4: 6.92071	Sterimol/L: 20.5127

Surface and Volume Properties
Accessible surface: 679.283	Positive charged surface: 325.653	Negative charged surface: 342.559	Volume: 364.625
Hydrophobic surface: 645.457	Hydrophilic surface: 33.826

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.