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MMsINC code: MMs00845740

Type: Neutral
Formula: C₁₆H₂₃ClN₂O

SMILES:

Clc1ccc(cc1)C(N(C)C)C(=O)NC1CCCCC1

InChI:

InChI=1/C16H23ClN2O/c1-19(2)15(12-8-10-13(17)11-9-12)16(20)18-14-6-4-3-5-7-14/h8-11,14-15H,3-7H2,1-2H3,(H,18,20)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1585 kcal/mol

Physical Properties
Molecular Weight: 294.826 g/mol	logS: -3.63433	SlogP: 3.4871	Reactive groups: 0

Topological Properties
Globularity: 0.125946	Sterimol/B1: 2.16891	Sterimol/B2: 3.10244	Sterimol/B3: 4.22889
Sterimol/B4: 9.81606	Sterimol/L: 13.4686

Surface and Volume Properties
Accessible surface: 547.398	Positive charged surface: 383.559	Negative charged surface: 163.839	Volume: 294.125
Hydrophobic surface: 523.598	Hydrophilic surface: 23.8

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs00845741
CHEMDIV-ZINC00246229