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MMsINC code: MMs02824515

Type: Neutral
Formula: C₁₄H₁₇Cl₂F₂NO₂

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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7735 kcal/mol

Physical Properties
Molecular Weight: 340.197 g/mol	logS: -3.45898	SlogP: 4.04297	Reactive groups: 1

Topological Properties
Globularity: 0.0702953	Sterimol/B1: 3.40759	Sterimol/B2: 3.6637	Sterimol/B3: 3.89534
Sterimol/B4: 7.28731	Sterimol/L: 16.0456

Surface and Volume Properties
Accessible surface: 558.243	Positive charged surface: 273.223	Negative charged surface: 285.021	Volume: 287.625
Hydrophobic surface: 270.503	Hydrophilic surface: 287.74

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02824516
PUBCHEM-ZINC01847246