MMsINC Database Search


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MMsINC code: MMs02133006

Type: Neutral
Formula: C₁₀H₇F₃N₂

SMILES:

FC(F)(F)c1n[nH]cc1-c1ccccc1

InChI:

InChI=1/C10H7F3N2/c11-10(12,13)9-8(6-14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.736 kcal/mol

Physical Properties
Molecular Weight: 212.174 g/mol	logS: -3.45677	SlogP: 3.407	Reactive groups: 0

Topological Properties
Globularity: 0.109082	Sterimol/B1: 2.79261	Sterimol/B2: 3.02037	Sterimol/B3: 4.0754
Sterimol/B4: 4.2004	Sterimol/L: 10.8691

Surface and Volume Properties
Accessible surface: 368.864	Positive charged surface: 156.139	Negative charged surface: 212.726	Volume: 174.5
Hydrophobic surface: 196.05	Hydrophilic surface: 172.814

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.