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MMsINC code: MMs02824516

Type: Ionized
Formula: C₁₄H₁₆Cl₂F₂NO₂-

SMILES:

ClCCN(CCCl)c1ccc(cc1)CC(F)(F)CC(=O)[O-]

InChI:

InChI=1/C14H17Cl2F2NO2/c15-5-7-19(8-6-16)12-3-1-11(2-4-12)9-14(17,18)10-13(20)21/h1-4H,5-10H2,(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0856 kcal/mol

Physical Properties
Molecular Weight: 339.189 g/mol	logS: -3.71943	SlogP: 2.70827	Reactive groups: 1

Topological Properties
Globularity: 0.065973	Sterimol/B1: 3.31648	Sterimol/B2: 3.68376	Sterimol/B3: 4.04594
Sterimol/B4: 7.20528	Sterimol/L: 15.2292

Surface and Volume Properties
Accessible surface: 555.366	Positive charged surface: 246.825	Negative charged surface: 308.541	Volume: 286.75
Hydrophobic surface: 273.715	Hydrophilic surface: 281.651

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

search links for this molecule:

Parent related molecule:

MMs02824515
PUBCHEM-ZINC01847246