MMsINC Database Search


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MMsINC code: MMs02264693

Type: Neutral
Formula: C₁₅H₁₄F₆N₂O

SMILES:

FC(F)(F)C(O)(Cc1nc2c(cc(N(C)C)cc2)cc1)C(F)(F)F

InChI:

InChI=1/C15H14F6N2O/c1-23(2)11-5-6-12-9(7-11)3-4-10(22-12)8-13(24,14(16,17)18)15(19,20)21/h3-7,24H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0912 kcal/mol

Physical Properties
Molecular Weight: 352.278 g/mol	logS: -4.05222	SlogP: 4.53877	Reactive groups: 0

Topological Properties
Globularity: 0.0527746	Sterimol/B1: 2.69302	Sterimol/B2: 3.54891	Sterimol/B3: 3.85953
Sterimol/B4: 5.80235	Sterimol/L: 15.2474

Surface and Volume Properties
Accessible surface: 506	Positive charged surface: 259.644	Negative charged surface: 242.622	Volume: 277
Hydrophobic surface: 315.122	Hydrophilic surface: 190.878

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