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MMsINC code: MMs02898695

Type: Neutral
Formula: C₁₅H₁₂FNO₂

SMILES:

Fc1ccc(cc1)\C=N\c1ccc(cc1)CC(O)=O

InChI:

InChI=1/C15H12FNO2/c16-13-5-1-12(2-6-13)10-17-14-7-3-11(4-8-14)9-15(18)19/h1-8,10H,9H2,(H,18,19)/b17-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.165 kcal/mol

Physical Properties
Molecular Weight: 257.264 g/mol	logS: -3.63547	SlogP: 3.20337	Reactive groups: 0

Topological Properties
Globularity: 0.0316772	Sterimol/B1: 2.097	Sterimol/B2: 2.76193	Sterimol/B3: 4.16202
Sterimol/B4: 4.67085	Sterimol/L: 17.219

Surface and Volume Properties
Accessible surface: 492.981	Positive charged surface: 278.295	Negative charged surface: 214.686	Volume: 241.25
Hydrophobic surface: 381.596	Hydrophilic surface: 111.385

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02898696
PUBCHEM-ZINC02546384