MMsINC Database Search


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

MMsINC code: MMs01222342

Type: Neutral
Formula: C₁₄H₁₁F₂NO

SMILES:

Fc1ccccc1C(=O)Nc1ccc(F)cc1C

InChI:

InChI=1/C14H11F2NO/c1-9-8-10(15)6-7-13(9)17-14(18)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9637 kcal/mol

Physical Properties
Molecular Weight: 247.244 g/mol	logS: -4.1053	SlogP: 3.52552	Reactive groups: 0

Topological Properties
Globularity: 0.0182842	Sterimol/B1: 2.01999	Sterimol/B2: 2.13063	Sterimol/B3: 2.86625
Sterimol/B4: 6.58435	Sterimol/L: 14.4084

Surface and Volume Properties
Accessible surface: 446.966	Positive charged surface: 222.896	Negative charged surface: 224.07	Volume: 223.75
Hydrophobic surface: 419.819	Hydrophilic surface: 27.147

Pharmacophoric Properties
Hydrogen bond donors: 1	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.