MMsINC Database Search


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MMsINC code: MMs02348181

Type: Ionized
Formula: C₁₁H₁₃FNO₂-

SMILES:

FCCNc1cc(ccc1)CCC(=O)[O-]

InChI:

InChI=1/C11H14FNO2/c12-6-7-13-10-3-1-2-9(8-10)4-5-11(14)15/h1-3,8,13H,4-7H2,(H,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.5491 kcal/mol

Physical Properties
Molecular Weight: 210.228 g/mol	logS: -1.67827	SlogP: 0.75047	Reactive groups: 1

Topological Properties
Globularity: 0.0502694	Sterimol/B1: 2.54408	Sterimol/B2: 3.06411	Sterimol/B3: 3.08908
Sterimol/B4: 6.19444	Sterimol/L: 14.175

Surface and Volume Properties
Accessible surface: 434.824	Positive charged surface: 255.96	Negative charged surface: 178.864	Volume: 201.125
Hydrophobic surface: 280.108	Hydrophilic surface: 154.716

Pharmacophoric Properties
Hydrogen bond donors: 1	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:

MMs02348180
NCID-ZINC01724141