MMsINC Database Search


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MMsINC code: MMs02561844

Type: Neutral
Formula: C₂₄H₁₅ClO₃

SMILES:

Clc1ccc(cc1)C(=O)c1ccccc1C(Oc1c2c(ccc1)cccc2)=O

InChI:

InChI=1/C24H15ClO3/c25-18-14-12-17(13-15-18)23(26)20-9-3-4-10-21(20)24(27)28-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.038 kcal/mol

Physical Properties
Molecular Weight: 386.834 g/mol	logS: -8.18392	SlogP: 5.9434	Reactive groups: 0

Topological Properties
Globularity: 0.249447	Sterimol/B1: 2.76552	Sterimol/B2: 6.09919	Sterimol/B3: 6.20612
Sterimol/B4: 6.54875	Sterimol/L: 13.9797

Surface and Volume Properties
Accessible surface: 609.018	Positive charged surface: 280.829	Negative charged surface: 318.591	Volume: 357.25
Hydrophobic surface: 567.042	Hydrophilic surface: 41.976

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.