MMsINC Database Search


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

MMsINC code: MMs03055048

Type: Neutral
Formula: C₁₄H₁₁F₂N

SMILES:

Fc1cc(ccc1F)C1Nc2c(C1)cccc2

InChI:

InChI=1/C14H11F2N/c15-11-6-5-10(7-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-7,14,17H,8H2/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3995 kcal/mol

Physical Properties
Molecular Weight: 231.245 g/mol	logS: -3.72307	SlogP: 3.76957	Reactive groups: 0

Topological Properties
Globularity: 0.123919	Sterimol/B1: 2.48699	Sterimol/B2: 4.02968	Sterimol/B3: 4.26966
Sterimol/B4: 4.38331	Sterimol/L: 12.9378

Surface and Volume Properties
Accessible surface: 433.872	Positive charged surface: 230.039	Negative charged surface: 203.833	Volume: 214.75
Hydrophobic surface: 409.406	Hydrophilic surface: 24.466

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.