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MMsINC code: MMs01938193

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₂

SMILES:

Clc1cc2c3c([nH]c2cc1)CCN(C3)C(=O)c1ccc(OC)cc1

InChI:

InChI=1/C19H17ClN2O2/c1-24-14-5-2-12(3-6-14)19(23)22-9-8-18-16(11-22)15-10-13(20)4-7-17(15)21-18/h2-7,10,21H,8-9,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2127 kcal/mol

Physical Properties
Molecular Weight: 340.81 g/mol	logS: -4.60428	SlogP: 4.29477	Reactive groups: 0

Topological Properties
Globularity: 0.0962096	Sterimol/B1: 2.41231	Sterimol/B2: 4.473	Sterimol/B3: 5.11323
Sterimol/B4: 7.27527	Sterimol/L: 14.9662

Surface and Volume Properties
Accessible surface: 568.859	Positive charged surface: 341.221	Negative charged surface: 222.3	Volume: 313
Hydrophobic surface: 497.538	Hydrophilic surface: 71.321

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.