MMsINC Database Search


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MMsINC code: MMs02141924

Type: Neutral
Formula: C₁₅H₁₄F₂N₂O

SMILES:

Fc1cc(F)ccc1C(=O)NNc1cc(C)c(cc1)C

InChI:

InChI=1/C15H14F2N2O/c1-9-3-5-12(7-10(9)2)18-19-15(20)13-6-4-11(16)8-14(13)17/h3-8,18H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2899 kcal/mol

Physical Properties
Molecular Weight: 276.286 g/mol	logS: -4.58996	SlogP: 3.33854	Reactive groups: 0

Topological Properties
Globularity: 0.00543335	Sterimol/B1: 2.10254	Sterimol/B2: 2.51199	Sterimol/B3: 2.62997
Sterimol/B4: 5.7292	Sterimol/L: 15.8758

Surface and Volume Properties
Accessible surface: 502.533	Positive charged surface: 252.688	Negative charged surface: 249.845	Volume: 253.375
Hydrophobic surface: 443.27	Hydrophilic surface: 59.263

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.