MMsINC Database Search


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MMsINC code: MMs01587732

Type: Neutral
Formula: C₁₉H₁₆F₃NO₄

SMILES:

FC(F)(F)c1cc(ccc1)C(OC(C(=O)Nc1ccc(cc1)C(=O)C)C)=O

InChI:

InChI=1/C19H16F3NO4/c1-11(24)13-6-8-16(9-7-13)23-17(25)12(2)27-18(26)14-4-3-5-15(10-14)19(20,21)22/h3-10,12H,1-2H3,(H,23,25)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.653 kcal/mol

Physical Properties
Molecular Weight: 379.334 g/mol	logS: -5.45907	SlogP: 4.4035	Reactive groups: 0

Topological Properties
Globularity: 0.036302	Sterimol/B1: 2.24516	Sterimol/B2: 2.26205	Sterimol/B3: 5.41985
Sterimol/B4: 7.04309	Sterimol/L: 19.757

Surface and Volume Properties
Accessible surface: 630.93	Positive charged surface: 289.715	Negative charged surface: 341.215	Volume: 326.625
Hydrophobic surface: 398.969	Hydrophilic surface: 231.961

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.