MMsINC Database Search


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MMsINC code: MMs02293446

Type: Neutral
Formula: C₁₅H₁₁F₂NO₂

SMILES:

FC(F)(C(O)c1ccccc1)c1oc2c(n1)cccc2

InChI:

InChI=1/C15H11F2NO2/c16-15(17,13(19)10-6-2-1-3-7-10)14-18-11-8-4-5-9-12(11)20-14/h1-9,13,19H/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7803 kcal/mol

Physical Properties
Molecular Weight: 275.254 g/mol	logS: -4.08897	SlogP: 4.0602	Reactive groups: 0

Topological Properties
Globularity: 0.0291955	Sterimol/B1: 3.13214	Sterimol/B2: 3.3865	Sterimol/B3: 3.78917
Sterimol/B4: 3.98847	Sterimol/L: 15.8311

Surface and Volume Properties
Accessible surface: 479.014	Positive charged surface: 232.944	Negative charged surface: 246.069	Volume: 239.75
Hydrophobic surface: 360.752	Hydrophilic surface: 118.262

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.