MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01715933

Type: Neutral
Formula: C₁₄H₁₂FNO

SMILES:

Fc1ccc(cc1\N=C\c1ccccc1O)C

InChI:

InChI=1/C14H12FNO/c1-10-6-7-12(15)13(8-10)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3/b16-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7461 kcal/mol

Physical Properties
Molecular Weight: 229.254 g/mol	logS: -3.71657	SlogP: 3.59032	Reactive groups: 0

Topological Properties
Globularity: 0.0347807	Sterimol/B1: 2.11313	Sterimol/B2: 2.38802	Sterimol/B3: 3.21819
Sterimol/B4: 6.19408	Sterimol/L: 14.1854

Surface and Volume Properties
Accessible surface: 451.922	Positive charged surface: 262.63	Negative charged surface: 189.292	Volume: 223.125
Hydrophobic surface: 403.059	Hydrophilic surface: 48.863

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.