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MMsINC code: MMs01383471

Type: Neutral
Formula: C₂₂H₂₅ClN₂O₂

SMILES:

Clc1cc(C(=O)c2ccccc2)c(NC(=O)CN2CCCCCCC2)cc1

InChI:

InChI=1/C22H25ClN2O2/c23-18-11-12-20(19(15-18)22(27)17-9-5-4-6-10-17)24-21(26)16-25-13-7-2-1-3-8-14-25/h4-6,9-12,15H,1-3,7-8,13-14,16H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.138 kcal/mol

Physical Properties
Molecular Weight: 384.907 g/mol	logS: -5.7631	SlogP: 4.7756	Reactive groups: 0

Topological Properties
Globularity: 0.141234	Sterimol/B1: 2.44845	Sterimol/B2: 3.15244	Sterimol/B3: 5.18613
Sterimol/B4: 10.1043	Sterimol/L: 13.8505

Surface and Volume Properties
Accessible surface: 631.936	Positive charged surface: 376.329	Negative charged surface: 255.607	Volume: 371
Hydrophobic surface: 584.76	Hydrophilic surface: 47.176

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

MMs01383472
ENAMINE-ZINC03341665