MMsINC Database Search


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MMsINC code: MMs02331086

Type: Neutral
Formula: C₁₃H₁₀FN

SMILES:

Fc1cc2Cc3c(cc(N)cc3)-c2cc1

InChI:

InChI=1/C13H10FN/c14-10-2-4-12-9(6-10)5-8-1-3-11(15)7-13(8)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)=57.3882 kcal/mol

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

Topological Properties
Globularity: 0.00815459	Sterimol/B1: 2.37844	Sterimol/B2: 2.37966	Sterimol/B3: 3.42202
Sterimol/B4: 4.87107	Sterimol/L: 12.7585

Surface and Volume Properties
Accessible surface: 395.054	Positive charged surface: 222.271	Negative charged surface: 161.333	Volume: 194
Hydrophobic surface: 332.763	Hydrophilic surface: 62.291

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.