MMsINC Database Search


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MMsINC code: MMs03647714

Type: Neutral
Formula: C₁₉H₁₈F₂N₂O₃

SMILES:

FC(F)Oc1ccccc1\C=N/OCC(=O)N1c2c(CC1C)cccc2

InChI:

InChI=1/C19H18F2N2O3/c1-13-10-14-6-2-4-8-16(14)23(13)18(24)12-25-22-11-15-7-3-5-9-17(15)26-19(20)21/h2-9,11,13,19H,10,12H2,1H3/b22-11-/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.452 kcal/mol

Physical Properties
Molecular Weight: 360.36 g/mol	logS: -4.15431	SlogP: 4.03617	Reactive groups: 0

Topological Properties
Globularity: 0.0209698	Sterimol/B1: 2.36498	Sterimol/B2: 2.44844	Sterimol/B3: 3.8452
Sterimol/B4: 8.13714	Sterimol/L: 17.4771

Surface and Volume Properties
Accessible surface: 594.306	Positive charged surface: 355.57	Negative charged surface: 238.736	Volume: 324.5
Hydrophobic surface: 431.208	Hydrophilic surface: 163.098

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.