MMsINC Database Search


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MMsINC code: MMs00454243

Type: Neutral
Formula: C₁₅H₁₄F₃NO₅

SMILES:

FC(F)(F)C1=CC(=O)N(c2c1cc(OC)c(OC)c2)CC(OC)=O

InChI:

InChI=1/C15H14F3NO5/c1-22-11-4-8-9(15(16,17)18)5-13(20)19(7-14(21)24-3)10(8)6-12(11)23-2/h4-6H,7H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0046 kcal/mol

Physical Properties
Molecular Weight: 345.273 g/mol	logS: -3.71071	SlogP: 2.589	Reactive groups: 1

Topological Properties
Globularity: 0.0957748	Sterimol/B1: 2.78279	Sterimol/B2: 3.93984	Sterimol/B3: 4.49473
Sterimol/B4: 7.47434	Sterimol/L: 14.1923

Surface and Volume Properties
Accessible surface: 534.126	Positive charged surface: 342.032	Negative charged surface: 192.094	Volume: 279.625
Hydrophobic surface: 351.576	Hydrophilic surface: 182.55

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.