MMsINC Database Search


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MMsINC code: MMs00608344

Type: Neutral
Formula: C₁₄H₁₂FNO₂

SMILES:

Fc1ccccc1COc1ccccc1\C=N\O

InChI:

InChI=1/C14H12FNO2/c15-13-7-3-1-6-12(13)10-18-14-8-4-2-5-11(14)9-16-17/h1-9,17H,10H2/b16-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0295 kcal/mol

Physical Properties
Molecular Weight: 245.253 g/mol	logS: -3.31947	SlogP: 3.4792	Reactive groups: 0

Topological Properties
Globularity: 0.00535564	Sterimol/B1: 2.36753	Sterimol/B2: 2.38257	Sterimol/B3: 4.39719
Sterimol/B4: 5.5356	Sterimol/L: 14.0314

Surface and Volume Properties
Accessible surface: 450.204	Positive charged surface: 243.339	Negative charged surface: 206.865	Volume: 231.625
Hydrophobic surface: 371.486	Hydrophilic surface: 78.718

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.