MMsINC Database Search


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

MMsINC code: MMs00600604

Type: Neutral
Formula: C₁₅H₁₅F₂NO₂

SMILES:

Fc1cc(NCc2cccc(OC)c2OC)ccc1F

InChI:

InChI=1/C15H15F2NO2/c1-19-14-5-3-4-10(15(14)20-2)9-18-11-6-7-12(16)13(17)8-11/h3-8,18H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4198 kcal/mol

Physical Properties
Molecular Weight: 279.286 g/mol	logS: -3.63996	SlogP: 3.8605	Reactive groups: 0

Topological Properties
Globularity: 0.0704272	Sterimol/B1: 3.23175	Sterimol/B2: 3.41491	Sterimol/B3: 3.70287
Sterimol/B4: 5.49844	Sterimol/L: 15.4733

Surface and Volume Properties
Accessible surface: 499.128	Positive charged surface: 317.883	Negative charged surface: 181.245	Volume: 255.5
Hydrophobic surface: 472.697	Hydrophilic surface: 26.431

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.