MMsINC Database Search


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MMsINC code: MMs02092465

Type: Neutral
Formula: C₁₅H₁₀FN

SMILES:

Fc1ccc(cc1)-c1nc2c(cc1)cccc2

InChI:

InChI=1/C15H10FN/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)17-15/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7614 kcal/mol

Physical Properties
Molecular Weight: 223.25 g/mol	logS: -4.66358	SlogP: 4.0409	Reactive groups: 0

Topological Properties
Globularity: 4.22776e-07	Sterimol/B1: 2.09804	Sterimol/B2: 2.10227	Sterimol/B3: 4.00709
Sterimol/B4: 4.49007	Sterimol/L: 14.4715

Surface and Volume Properties
Accessible surface: 432.354	Positive charged surface: 199.635	Negative charged surface: 221.648	Volume: 216.625
Hydrophobic surface: 413.748	Hydrophilic surface: 18.606

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules: no related molecules available.