MMsINC Database Search


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

MMsINC code: MMs00897206

Type: Neutral
Formula: C₂₁H₁₄F₂N₂

SMILES:

Fc1cc(ccc1)-c1nc2cc(ccc2nc1-c1cc(F)ccc1)C

InChI:

InChI=1/C21H14F2N2/c1-13-8-9-18-19(10-13)25-21(15-5-3-7-17(23)12-15)20(24-18)14-4-2-6-16(22)11-14/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.072 kcal/mol

Physical Properties
Molecular Weight: 332.353 g/mol	logS: -6.53832	SlogP: 5.55042	Reactive groups: 0

Topological Properties
Globularity: 0.0483777	Sterimol/B1: 3.21416	Sterimol/B2: 3.3414	Sterimol/B3: 5.18081
Sterimol/B4: 6.44769	Sterimol/L: 14.729

Surface and Volume Properties
Accessible surface: 548.283	Positive charged surface: 286.651	Negative charged surface: 256.715	Volume: 309.5
Hydrophobic surface: 510.212	Hydrophilic surface: 38.071

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.