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MMsINC code: MMs00394583

Type: Neutral
Formula: C₂₁H₂₉ClN₂O

SMILES:

Clc1ccc(cc1)C(=O)NC1CC2N(C(C1)CCC2)C1CCCCC1

InChI:

InChI=1/C21H29ClN2O/c22-16-11-9-15(10-12-16)21(25)23-17-13-19-7-4-8-20(14-17)24(19)18-5-2-1-3-6-18/h9-12,17-20H,1-8,13-14H2,(H,23,25)/t17-,19+,20-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3804 kcal/mol

Physical Properties
Molecular Weight: 360.929 g/mol	logS: -4.94086	SlogP: 4.788	Reactive groups: 0

Topological Properties
Globularity: 0.0911818	Sterimol/B1: 2.49636	Sterimol/B2: 3.92379	Sterimol/B3: 4.18268
Sterimol/B4: 7.2292	Sterimol/L: 18.9726

Surface and Volume Properties
Accessible surface: 613.519	Positive charged surface: 390.091	Negative charged surface: 223.428	Volume: 356
Hydrophobic surface: 579.61	Hydrophilic surface: 33.909

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00394584
ASINEX-ZINC04887799