MMsINC Database Search


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MMsINC code: MMs00073999

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1ccccc1CC

InChI:

InChI=1/C19H17ClN2O2/c1-3-13-8-4-7-11-16(13)21-19(23)17-12(2)24-22-18(17)14-9-5-6-10-15(14)20/h4-11H,3H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.0672 kcal/mol

Physical Properties
Molecular Weight: 340.81 g/mol	logS: -6.11977	SlogP: 5.11809	Reactive groups: 0

Topological Properties
Globularity: 0.316706	Sterimol/B1: 2.49311	Sterimol/B2: 5.44626	Sterimol/B3: 6.70917
Sterimol/B4: 7.40009	Sterimol/L: 12.6813

Surface and Volume Properties
Accessible surface: 576.718	Positive charged surface: 280.35	Negative charged surface: 296.368	Volume: 319.25
Hydrophobic surface: 520.469	Hydrophilic surface: 56.249

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.