MMsINC Database Search


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MMsINC code: MMs00915019

Type: Neutral
Formula: C₂₃H₂₄ClNO₂

SMILES:

Clc1ccc(OCCn2cc(c3c2cccc3)C(=O)C2CCCCC2)cc1

InChI:

InChI=1/C23H24ClNO2/c24-18-10-12-19(13-11-18)27-15-14-25-16-21(20-8-4-5-9-22(20)25)23(26)17-6-2-1-3-7-17/h4-5,8-13,16-17H,1-3,6-7,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6329 kcal/mol

Physical Properties
Molecular Weight: 381.903 g/mol	logS: -6.30723	SlogP: 6.4031	Reactive groups: 0

Topological Properties
Globularity: 0.0893649	Sterimol/B1: 2.446	Sterimol/B2: 3.70454	Sterimol/B3: 4.31682
Sterimol/B4: 9.57789	Sterimol/L: 18.0677

Surface and Volume Properties
Accessible surface: 667.868	Positive charged surface: 380.297	Negative charged surface: 281.728	Volume: 374.375
Hydrophobic surface: 634.035	Hydrophilic surface: 33.833

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.