MMsINC Database Search


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MMsINC code: MMs02124392

Type: Neutral
Formula: C₁₅H₁₀F₂N₂O

SMILES:

Fc1c2c(ncnc2OCc2ccc(F)cc2)ccc1

InChI:

InChI=1/C15H10F2N2O/c16-11-6-4-10(5-7-11)8-20-15-14-12(17)2-1-3-13(14)18-9-19-15/h1-7,9H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.3068 kcal/mol

Physical Properties
Molecular Weight: 272.254 g/mol	logS: -4.85392	SlogP: 3.7534	Reactive groups: 0

Topological Properties
Globularity: 0.0698343	Sterimol/B1: 3.13428	Sterimol/B2: 3.61885	Sterimol/B3: 3.62038
Sterimol/B4: 6.82911	Sterimol/L: 14.7535

Surface and Volume Properties
Accessible surface: 482.235	Positive charged surface: 272.289	Negative charged surface: 204.41	Volume: 241.25
Hydrophobic surface: 405.349	Hydrophilic surface: 76.886

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.