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MMsINC code: MMs02006779

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)NCCc1cc2c(nc1O)cc(cc2)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.8956 kcal/mol

Physical Properties
Molecular Weight: 340.81 g/mol	logS: -5.10644	SlogP: 3.87469	Reactive groups: 0

Topological Properties
Globularity: 0.0421221	Sterimol/B1: 3.26042	Sterimol/B2: 3.82882	Sterimol/B3: 4.03261
Sterimol/B4: 4.40499	Sterimol/L: 20.8152

Surface and Volume Properties
Accessible surface: 603.271	Positive charged surface: 305.946	Negative charged surface: 292.014	Volume: 316.375
Hydrophobic surface: 488.996	Hydrophilic surface: 114.275

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.