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MMsINC code: MMs00836950

Type: Neutral
Formula: C₁₂H₁₇ClN₂O₂

SMILES:

Clc1cc(ccc1OC(=O)N(C)C)CN(C)C

InChI:

InChI=1/C12H17ClN2O2/c1-14(2)8-9-5-6-11(10(13)7-9)17-12(16)15(3)4/h5-7H,8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.6968 kcal/mol

Physical Properties
Molecular Weight: 256.733 g/mol	logS: -2.07201	SlogP: 2.7284	Reactive groups: 0

Topological Properties
Globularity: 0.0712932	Sterimol/B1: 2.28499	Sterimol/B2: 3.44873	Sterimol/B3: 4.43974
Sterimol/B4: 5.27487	Sterimol/L: 14.6002

Surface and Volume Properties
Accessible surface: 490.471	Positive charged surface: 374.096	Negative charged surface: 116.375	Volume: 247.375
Hydrophobic surface: 456.723	Hydrophilic surface: 33.748

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs00836951
CHEMDIV-ZINC00187884