MMsINC Database Search


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

MMsINC code: MMs02020797

Type: Neutral
Formula: C₁₇H₁₄F₂N₂O

SMILES:

Fc1cccc(F)c1C(=O)NCc1cc2cc([nH]c2cc1)C

InChI:

InChI=1/C17H14F2N2O/c1-10-7-12-8-11(5-6-15(12)21-10)9-20-17(22)16-13(18)3-2-4-14(16)19/h2-8,21H,9H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.8311 kcal/mol

Physical Properties
Molecular Weight: 300.308 g/mol	logS: -4.49216	SlogP: 3.95092	Reactive groups: 0

Topological Properties
Globularity: 0.0801764	Sterimol/B1: 2.94518	Sterimol/B2: 3.1372	Sterimol/B3: 4.47835
Sterimol/B4: 5.91801	Sterimol/L: 16.5063

Surface and Volume Properties
Accessible surface: 550.61	Positive charged surface: 289.003	Negative charged surface: 256.043	Volume: 276.375
Hydrophobic surface: 475.024	Hydrophilic surface: 75.586

Pharmacophoric Properties
Hydrogen bond donors: 2	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.