MMsINC Database Search


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MMsINC code: MMs02314269

Type: Neutral
Formula: C₁₃H₁₀FN

SMILES:

Fc1cc2Cc3cc(N)ccc3-c2cc1

InChI:

InChI=1/C13H10FN/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.286 kcal/mol

Physical Properties
Molecular Weight: 199.228 g/mol	logS: -4.298	SlogP: 2.97907	Reactive groups: 0

Topological Properties
Globularity: 0.00755348	Sterimol/B1: 2.37689	Sterimol/B2: 2.38022	Sterimol/B3: 2.72565
Sterimol/B4: 5.19624	Sterimol/L: 13.0696

Surface and Volume Properties
Accessible surface: 391.554	Positive charged surface: 220.184	Negative charged surface: 159.569	Volume: 192
Hydrophobic surface: 329.653	Hydrophilic surface: 61.901

Pharmacophoric Properties
Hydrogen bond donors: 1	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.