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MMsINC code: MMs02550483

Type: Neutral
Formula: C₁₄H₁₂FNO₂

SMILES:

Fc1ccc(NC(C(O)=O)c2ccccc2)cc1

InChI:

InChI=1/C14H12FNO2/c15-11-6-8-12(9-7-11)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6801 kcal/mol

Physical Properties
Molecular Weight: 245.253 g/mol	logS: -3.24006	SlogP: 3.159	Reactive groups: 0

Topological Properties
Globularity: 0.110836	Sterimol/B1: 2.87023	Sterimol/B2: 3.15013	Sterimol/B3: 4.66748
Sterimol/B4: 5.09732	Sterimol/L: 14.2395

Surface and Volume Properties
Accessible surface: 457.845	Positive charged surface: 230.598	Negative charged surface: 227.247	Volume: 226.5
Hydrophobic surface: 370.079	Hydrophilic surface: 87.766

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	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

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Ions/Tautomers related molecules

MMs02550484
OAKWOOD-ZINC04264413