MMsINC Database Search


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

MMsINC code: MMs00917793

Type: Neutral
Formula: C₁₉H₁₅FO₂

SMILES:

Fc1ccc(cc1)C(c1ccc(O)cc1)c1ccc(O)cc1

InChI:

InChI=1/C19H15FO2/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8276 kcal/mol

Physical Properties
Molecular Weight: 294.325 g/mol	logS: -4.7148	SlogP: 4.4171	Reactive groups: 0

Topological Properties
Globularity: 0.230421	Sterimol/B1: 3.38947	Sterimol/B2: 3.47352	Sterimol/B3: 4.46835
Sterimol/B4: 8.87502	Sterimol/L: 12.8189

Surface and Volume Properties
Accessible surface: 512.866	Positive charged surface: 285.557	Negative charged surface: 227.309	Volume: 278.875
Hydrophobic surface: 409.202	Hydrophilic surface: 103.664

Pharmacophoric Properties
Hydrogen bond donors: 2	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.