MMsINC Database Search


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MMsINC code: MMs02872071

Type: Neutral
Formula: C₂₃H₂₄ClNO₂

SMILES:

Clc1cc(cc(OC)c1OCc1ccccc1)CNc1ccc(cc1)CC

InChI:

InChI=1/C23H24ClNO2/c1-3-17-9-11-20(12-10-17)25-15-19-13-21(24)23(22(14-19)26-2)27-16-18-7-5-4-6-8-18/h4-14,25H,3,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.989 kcal/mol

Physical Properties
Molecular Weight: 381.903 g/mol	logS: -6.54133	SlogP: 6.63487	Reactive groups: 0

Topological Properties
Globularity: 0.0280464	Sterimol/B1: 3.48555	Sterimol/B2: 3.83813	Sterimol/B3: 3.85884
Sterimol/B4: 6.82467	Sterimol/L: 22.4959

Surface and Volume Properties
Accessible surface: 700.507	Positive charged surface: 431.069	Negative charged surface: 269.439	Volume: 379.375
Hydrophobic surface: 644.491	Hydrophilic surface: 56.016

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.