MMsINC Database Search


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MMsINC code: MMs00902086

Type: Neutral
Formula: C₁₆H₁₃FN₂

SMILES:

Fc1ccc(cc1)-c1cc-2n(c1)CCn1c-2ccc1

InChI:

InChI=1/C16H13FN2/c17-14-5-3-12(4-6-14)13-10-16-15-2-1-7-18(15)8-9-19(16)11-13/h1-7,10-11H,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.8204 kcal/mol

Physical Properties
Molecular Weight: 252.292 g/mol	logS: -3.29352	SlogP: 4.3091	Reactive groups: 0

Topological Properties
Globularity: 0.0119299	Sterimol/B1: 2.52501	Sterimol/B2: 2.75227	Sterimol/B3: 3.05963
Sterimol/B4: 6.38757	Sterimol/L: 15.2858

Surface and Volume Properties
Accessible surface: 467.876	Positive charged surface: 255.01	Negative charged surface: 212.866	Volume: 244.875
Hydrophobic surface: 431.12	Hydrophilic surface: 36.756

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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

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Ions/Tautomers related molecules: no related molecules available.