MMsINC Database Search


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MMsINC code: MMs02354317

Type: Neutral
Formula: C₁₅H₁₀F₃N₃

SMILES:

FC(F)(F)c1cc(-n2nncc2-c2ccccc2)ccc1

InChI:

InChI=1/C15H10F3N3/c16-15(17,18)12-7-4-8-13(9-12)21-14(10-19-20-21)11-5-2-1-3-6-11/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7856 kcal/mol

Physical Properties
Molecular Weight: 289.26 g/mol	logS: -4.51078	SlogP: 4.2646	Reactive groups: 0

Topological Properties
Globularity: 0.0798784	Sterimol/B1: 2.41032	Sterimol/B2: 3.0712	Sterimol/B3: 3.96438
Sterimol/B4: 7.58174	Sterimol/L: 13.3764

Surface and Volume Properties
Accessible surface: 465.763	Positive charged surface: 184.193	Negative charged surface: 281.57	Volume: 245.625
Hydrophobic surface: 308.88	Hydrophilic surface: 156.883

Pharmacophoric Properties
Hydrogen bond donors: 0	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.