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MMsINC code: MMs01339091

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₂

SMILES:

Clc1cc(C(=O)c2ccccc2)c(NC(=O)CN2CCCC2)cc1

InChI:

InChI=1/C19H19ClN2O2/c20-15-8-9-17(21-18(23)13-22-10-4-5-11-22)16(12-15)19(24)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.858 kcal/mol

Physical Properties
Molecular Weight: 342.826 g/mol	logS: -4.84434	SlogP: 3.6053	Reactive groups: 0

Topological Properties
Globularity: 0.0924707	Sterimol/B1: 2.44591	Sterimol/B2: 2.96491	Sterimol/B3: 5.08991
Sterimol/B4: 10.1297	Sterimol/L: 14.1208

Surface and Volume Properties
Accessible surface: 591.81	Positive charged surface: 338.506	Negative charged surface: 253.304	Volume: 324.375
Hydrophobic surface: 531.844	Hydrophilic surface: 59.966

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01339092
ENAMINE-ZINC03265002