MMsINC Database Search


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

MMsINC code: MMs02573032

Type: Neutral
Formula: C₁₄H₁₀F₂O₂

SMILES:

Fc1ccc(cc1)C(OCc1ccc(F)cc1)=O

InChI:

InChI=1/C14H10F2O2/c15-12-5-1-10(2-6-12)9-18-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.1268 kcal/mol

Physical Properties
Molecular Weight: 248.228 g/mol	logS: -4.12447	SlogP: 3.5882	Reactive groups: 0

Topological Properties
Globularity: 0.0718598	Sterimol/B1: 2.42115	Sterimol/B2: 3.93249	Sterimol/B3: 4.55165
Sterimol/B4: 4.81848	Sterimol/L: 14.6927

Surface and Volume Properties
Accessible surface: 459.371	Positive charged surface: 226.329	Negative charged surface: 233.043	Volume: 223.125
Hydrophobic surface: 417.636	Hydrophilic surface: 41.735

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.