MMsINC Database Search


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MMsINC code: MMs02228781

Type: Ionized
Formula: C₁₆H₁₃FNO₃-

SMILES:

Fc1ccccc1CC(NC(=O)c1ccccc1)C(=O)[O-]

InChI:

InChI=1/C16H14FNO3/c17-13-9-5-4-8-12(13)10-14(16(20)21)18-15(19)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,19)(H,20,21)/p-1/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0939 kcal/mol

Physical Properties
Molecular Weight: 286.282 g/mol	logS: -3.91165	SlogP: 0.91667	Reactive groups: 0

Topological Properties
Globularity: 0.176928	Sterimol/B1: 3.49563	Sterimol/B2: 4.13598	Sterimol/B3: 4.89463
Sterimol/B4: 6.42908	Sterimol/L: 12.7203

Surface and Volume Properties
Accessible surface: 490.542	Positive charged surface: 246.663	Negative charged surface: 243.879	Volume: 264.5
Hydrophobic surface: 380.545	Hydrophilic surface: 109.997

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02228780
NCID-ZINC01567822