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MMsINC code: MMs01288948

Type: Neutral
Formula: C₁₄H₁₈Cl₃NO₂

SMILES:

ClC(Cl)(Cl)C(OCc1ccccc1)NC(=O)CC(C)C

InChI:

InChI=1/C14H18Cl3NO2/c1-10(2)8-12(19)18-13(14(15,16)17)20-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,18,19)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4514 kcal/mol

Physical Properties
Molecular Weight: 338.662 g/mol	logS: -5.20171	SlogP: 4.7481	Reactive groups: 0

Topological Properties
Globularity: 0.101898	Sterimol/B1: 2.68721	Sterimol/B2: 3.69828	Sterimol/B3: 3.8224
Sterimol/B4: 7.93649	Sterimol/L: 14.6151

Surface and Volume Properties
Accessible surface: 563.363	Positive charged surface: 261.515	Negative charged surface: 301.848	Volume: 302.25
Hydrophobic surface: 337.296	Hydrophilic surface: 226.067

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: no related molecules available.