MMsINC Database Search


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MMsINC code: MMs02639260

Type: Neutral
Formula: C₁₈H₁₆F₂N₂O

SMILES:

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

InChI:

InChI=1/C18H16F2N2O/c1-10-11(2)22(3)17-7-4-12(8-14(10)17)18(23)21-13-5-6-15(19)16(20)9-13/h4-9H,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9711 kcal/mol

Physical Properties
Molecular Weight: 314.335 g/mol	logS: -4.6026	SlogP: 4.68484	Reactive groups: 0

Topological Properties
Globularity: 0.0168362	Sterimol/B1: 2.00567	Sterimol/B2: 2.54817	Sterimol/B3: 3.17762
Sterimol/B4: 7.19927	Sterimol/L: 17.281

Surface and Volume Properties
Accessible surface: 542.416	Positive charged surface: 298.278	Negative charged surface: 238.836	Volume: 290
Hydrophobic surface: 499.544	Hydrophilic surface: 42.872

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.