MMsINC Database Search


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MMsINC code: MMs02661722

Type: Neutral
Formula: C₁₉H₁₈F₂N₂O

SMILES:

Fc1cc(NC(=O)c2cc3c(n(CC)c(C)c3C)cc2)ccc1F

InChI:

InChI=1/C19H18F2N2O/c1-4-23-12(3)11(2)15-9-13(5-8-18(15)23)19(24)22-14-6-7-16(20)17(21)10-14/h5-10H,4H2,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6556 kcal/mol

Physical Properties
Molecular Weight: 328.362 g/mol	logS: -4.92981	SlogP: 5.07494	Reactive groups: 0

Topological Properties
Globularity: 0.0291682	Sterimol/B1: 2.01331	Sterimol/B2: 2.37811	Sterimol/B3: 3.94923
Sterimol/B4: 7.25048	Sterimol/L: 17.2977

Surface and Volume Properties
Accessible surface: 565.877	Positive charged surface: 307.34	Negative charged surface: 253.449	Volume: 309.75
Hydrophobic surface: 502.489	Hydrophilic surface: 63.388

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.