MMsINC Database Search


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MMsINC code: MMs01647716

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O₃

SMILES:

FC(F)Oc1ccc(cc1OCC)C(=O)Nc1c2c(nccc2)ccc1

InChI:

InChI=1/C19H16F2N2O3/c1-2-25-17-11-12(8-9-16(17)26-19(20)21)18(24)23-15-7-3-6-14-13(15)5-4-10-22-14/h3-11,19H,2H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.855 kcal/mol

Physical Properties
Molecular Weight: 358.344 g/mol	logS: -4.45525	SlogP: 4.9071	Reactive groups: 0

Topological Properties
Globularity: 0.0302262	Sterimol/B1: 2.37067	Sterimol/B2: 2.56022	Sterimol/B3: 3.83079
Sterimol/B4: 8.25089	Sterimol/L: 16.3689

Surface and Volume Properties
Accessible surface: 596.792	Positive charged surface: 349.108	Negative charged surface: 242.762	Volume: 318.25
Hydrophobic surface: 428.775	Hydrophilic surface: 168.017

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.