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MMsINC code: MMs02362629

Type: Ionized
Formula: C₁₄H₁₈ClFNO₂-

SMILES:

ClCCN(CCF)c1ccc(cc1)CCCC(=O)[O-]

InChI:

InChI=1/C14H19ClFNO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6509 kcal/mol

Physical Properties
Molecular Weight: 286.754 g/mol	logS: -3.08972	SlogP: 1.77387	Reactive groups: 1

Topological Properties
Globularity: 0.0804713	Sterimol/B1: 3.22306	Sterimol/B2: 3.82229	Sterimol/B3: 4.25693
Sterimol/B4: 6.41387	Sterimol/L: 15.8779

Surface and Volume Properties
Accessible surface: 531.895	Positive charged surface: 293.303	Negative charged surface: 238.591	Volume: 272.875
Hydrophobic surface: 316.572	Hydrophilic surface: 215.323

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:

MMs02362628
NCID-ZINC01752323