MMsINC Database Search


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MMsINC code: MMs02825189

Type: Neutral
Formula: C₁₅H₁₀F₂N₂O

SMILES:

Fc1ccccc1N1C(=Nc2c(cc(F)cc2)C1=O)C

InChI:

InChI=1/C15H10F2N2O/c1-9-18-13-7-6-10(16)8-11(13)15(20)19(9)14-5-3-2-4-12(14)17/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8419 kcal/mol

Physical Properties
Molecular Weight: 272.254 g/mol	logS: -4.50664	SlogP: 3.6751	Reactive groups: 0

Topological Properties
Globularity: 0.0892663	Sterimol/B1: 2.45217	Sterimol/B2: 3.61935	Sterimol/B3: 3.87394
Sterimol/B4: 6.58088	Sterimol/L: 14.1498

Surface and Volume Properties
Accessible surface: 455.05	Positive charged surface: 224.26	Negative charged surface: 230.79	Volume: 237.5
Hydrophobic surface: 412.933	Hydrophilic surface: 42.117

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.