MMsINC Database Search


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MMsINC code: MMs00419870

Type: Neutral
Formula: C₁₅H₁₈F₂N₂O₂

SMILES:

Fc1cc(NC(=O)C2CC(=O)N(C2)C(C)(C)C)cc(F)c1

InChI:

InChI=1/C15H18F2N2O2/c1-15(2,3)19-8-9(4-13(19)20)14(21)18-12-6-10(16)5-11(17)7-12/h5-7,9H,4,8H2,1-3H3,(H,18,21)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.1959 kcal/mol

Physical Properties
Molecular Weight: 296.317 g/mol	logS: -3.01238	SlogP: 2.5503	Reactive groups: 0

Topological Properties
Globularity: 0.0926919	Sterimol/B1: 2.55172	Sterimol/B2: 2.91327	Sterimol/B3: 4.86778
Sterimol/B4: 6.26657	Sterimol/L: 14.9719

Surface and Volume Properties
Accessible surface: 503.348	Positive charged surface: 299.646	Negative charged surface: 203.702	Volume: 272.25
Hydrophobic surface: 399.002	Hydrophilic surface: 104.346

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