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MMsINC code: MMs02128451

Type: Neutral
Formula: C₁₂H₁₅Cl₂NO

SMILES:

Clc1cc(Cl)cc(C)c1CNC(=O)C(C)C

InChI:

InChI=1/C12H15Cl2NO/c1-7(2)12(16)15-6-10-8(3)4-9(13)5-11(10)14/h4-5,7H,6H2,1-3H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.3838 kcal/mol

Physical Properties
Molecular Weight: 260.164 g/mol	logS: -3.88441	SlogP: 3.84042	Reactive groups: 0

Topological Properties
Globularity: 0.0987658	Sterimol/B1: 2.17045	Sterimol/B2: 2.98198	Sterimol/B3: 3.82636
Sterimol/B4: 6.87633	Sterimol/L: 14.4028

Surface and Volume Properties
Accessible surface: 473.425	Positive charged surface: 233.406	Negative charged surface: 240.019	Volume: 238.75
Hydrophobic surface: 396.721	Hydrophilic surface: 76.704

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.