MMsINC Database Search


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MMsINC code: MMs02131605

Type: Neutral
Formula: C₁₅H₁₀F₆N₂O

SMILES:

FC(F)(F)c1cc(cc(NC(=O)c2ccccc2N)c1)C(F)(F)F

InChI:

InChI=1/C15H10F6N2O/c16-14(17,18)8-5-9(15(19,20)21)7-10(6-8)23-13(24)11-3-1-2-4-12(11)22/h1-7H,22H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.469 kcal/mol

Physical Properties
Molecular Weight: 348.246 g/mol	logS: -5.18885	SlogP: 5.1817	Reactive groups: 0

Topological Properties
Globularity: 0.0453313	Sterimol/B1: 2.56105	Sterimol/B2: 2.90565	Sterimol/B3: 3.73195
Sterimol/B4: 6.49636	Sterimol/L: 14.8338

Surface and Volume Properties
Accessible surface: 519.39	Positive charged surface: 191.272	Negative charged surface: 328.118	Volume: 263.125
Hydrophobic surface: 233.686	Hydrophilic surface: 285.704

Pharmacophoric Properties
Hydrogen bond donors: 2	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.