MMsINC Database Search


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MMsINC code: MMs02872152

Type: Neutral
Formula: C₂₄H₂₆ClNO₂

SMILES:

Clc1cc(cc(OC)c1OCc1ccc(cc1)C)CNc1ccccc1CC

InChI:

InChI=1/C24H26ClNO2/c1-4-20-7-5-6-8-22(20)26-15-19-13-21(25)24(23(14-19)27-3)28-16-18-11-9-17(2)10-12-18/h5-14,26H,4,15-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.083 kcal/mol

Physical Properties
Molecular Weight: 395.93 g/mol	logS: -6.7018	SlogP: 6.94329	Reactive groups: 0

Topological Properties
Globularity: 0.0600783	Sterimol/B1: 2.03893	Sterimol/B2: 2.81189	Sterimol/B3: 5.25241
Sterimol/B4: 7.90994	Sterimol/L: 21.4973

Surface and Volume Properties
Accessible surface: 712.729	Positive charged surface: 440.077	Negative charged surface: 272.652	Volume: 400
Hydrophobic surface: 669.183	Hydrophilic surface: 43.546

Pharmacophoric Properties
Hydrogen bond donors: 1	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.