MMsINC Database Search


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MMsINC code: MMs00112334

Type: Neutral
Formula: C₁₀H₁₀FN

SMILES:

Fc1cc2c([nH]c(C)c2C)cc1

InChI:

InChI=1/C10H10FN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.4025 kcal/mol

Physical Properties
Molecular Weight: 163.195 g/mol	logS: -2.44362	SlogP: 2.92384	Reactive groups: 0

Topological Properties
Globularity: 0.0253908	Sterimol/B1: 2.24359	Sterimol/B2: 2.51207	Sterimol/B3: 2.52286
Sterimol/B4: 5.89164	Sterimol/L: 10.5788

Surface and Volume Properties
Accessible surface: 356.693	Positive charged surface: 196.267	Negative charged surface: 154.62	Volume: 164.75
Hydrophobic surface: 327.302	Hydrophilic surface: 29.391

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.