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MMsINC code: MMs00778283

Type: Neutral
Formula: C₂₄H₂₃ClN₂O

SMILES:

Clc1cccc(NC(=O)c2ccc(cc2)CN2CCc3c(C2)cccc3)c1C

InChI:

InChI=1/C24H23ClN2O/c1-17-22(25)7-4-8-23(17)26-24(28)20-11-9-18(10-12-20)15-27-14-13-19-5-2-3-6-21(19)16-27/h2-12H,13-16H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.744 kcal/mol

Physical Properties
Molecular Weight: 390.914 g/mol	logS: -6.07285	SlogP: 5.99179	Reactive groups: 0

Topological Properties
Globularity: 0.0774024	Sterimol/B1: 2.09927	Sterimol/B2: 5.18715	Sterimol/B3: 5.3455
Sterimol/B4: 6.62513	Sterimol/L: 19.1653

Surface and Volume Properties
Accessible surface: 666.224	Positive charged surface: 376.812	Negative charged surface: 289.412	Volume: 381.25
Hydrophobic surface: 626.631	Hydrophilic surface: 39.593

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

MMs00778284
CHEMBRIDGE-ZINC04701994