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MMsINC code: MMs01288947

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0151 kcal/mol

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

Topological Properties
Globularity: 0.103437	Sterimol/B1: 2.27623	Sterimol/B2: 3.98316	Sterimol/B3: 4.05243
Sterimol/B4: 8.41491	Sterimol/L: 14.4738

Surface and Volume Properties
Accessible surface: 571.77	Positive charged surface: 263.829	Negative charged surface: 307.941	Volume: 300.375
Hydrophobic surface: 346.332	Hydrophilic surface: 225.438

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.