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MMsINC code: MMs00930212

Type: Neutral
Formula: C₂₃H₁₇ClN₂O

SMILES:

Clc1cc(C(c2c3c([nH]c2)cccc3)c2c3c([nH]c2)cccc3)c(O)cc1

InChI:

InChI=1/C23H17ClN2O/c24-14-9-10-22(27)17(11-14)23(18-12-25-20-7-3-1-5-15(18)20)19-13-26-21-8-4-2-6-16(19)21/h1-13,23,25-27H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.133 kcal/mol

Physical Properties
Molecular Weight: 372.855 g/mol	logS: -5.78241	SlogP: 6.1884	Reactive groups: 0

Topological Properties
Globularity: 0.353652	Sterimol/B1: 2.21441	Sterimol/B2: 3.37977	Sterimol/B3: 5.51845
Sterimol/B4: 9.67593	Sterimol/L: 13.7693

Surface and Volume Properties
Accessible surface: 603.62	Positive charged surface: 286.642	Negative charged surface: 307.086	Volume: 347.375
Hydrophobic surface: 492.98	Hydrophilic surface: 110.64

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.