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MMsINC code: MMs00111829

Type: Neutral
Formula: C₁₅H₁₇ClN₂O₂

SMILES:

Clc1cc(N2C(=O)C(N3CCCCC3)CC2=O)ccc1

InChI:

InChI=1/C15H17ClN2O2/c16-11-5-4-6-12(9-11)18-14(19)10-13(15(18)20)17-7-2-1-3-8-17/h4-6,9,13H,1-3,7-8,10H2/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6502 kcal/mol

Physical Properties
Molecular Weight: 292.766 g/mol	logS: -3.28538	SlogP: 2.4578	Reactive groups: 0

Topological Properties
Globularity: 0.168636	Sterimol/B1: 2.3959	Sterimol/B2: 3.73273	Sterimol/B3: 4.81151
Sterimol/B4: 6.21959	Sterimol/L: 13.861

Surface and Volume Properties
Accessible surface: 501.267	Positive charged surface: 284.748	Negative charged surface: 216.518	Volume: 269
Hydrophobic surface: 439.389	Hydrophilic surface: 61.878

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00111830
ASINEX-ZINC00295174