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MMsINC code: MMs03031649

Type: Neutral
Formula: C₁₃H₁₆ClNO

SMILES:

Clc1ccccc1C1NC(CC(=O)C1)(C)C

InChI:

InChI=1/C13H16ClNO/c1-13(2)8-9(16)7-12(15-13)10-5-3-4-6-11(10)14/h3-6,12,15H,7-8H2,1-2H3/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.3506 kcal/mol

Physical Properties
Molecular Weight: 237.73 g/mol	logS: -2.75812	SlogP: 3.2077	Reactive groups: 0

Topological Properties
Globularity: 0.151907	Sterimol/B1: 2.26367	Sterimol/B2: 3.53532	Sterimol/B3: 3.80088
Sterimol/B4: 6.31175	Sterimol/L: 12.2643

Surface and Volume Properties
Accessible surface: 435.33	Positive charged surface: 226.514	Negative charged surface: 208.815	Volume: 230.375
Hydrophobic surface: 353.475	Hydrophilic surface: 81.855

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

MMs03031650
PUBCHEM-ZINC03642083