MMsINC Database Search


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MMsINC code: MMs01406480

Type: Neutral
Formula: C₂₁H₁₄F₃NO₄

SMILES:

Fc1c(F)c(F)ccc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1

InChI:

InChI=1/C21H14F3NO4/c22-15-10-11-16(20(24)19(15)23)25-18(26)12-28-21(27)14-8-4-5-9-17(14)29-13-6-2-1-3-7-13/h1-11H,12H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.163 kcal/mol

Physical Properties
Molecular Weight: 401.34 g/mol	logS: -6.43069	SlogP: 4.6917	Reactive groups: 0

Topological Properties
Globularity: 0.0239149	Sterimol/B1: 2.71204	Sterimol/B2: 3.48868	Sterimol/B3: 3.59907
Sterimol/B4: 7.28416	Sterimol/L: 20.7063

Surface and Volume Properties
Accessible surface: 648.693	Positive charged surface: 335.928	Negative charged surface: 312.764	Volume: 338.625
Hydrophobic surface: 570.517	Hydrophilic surface: 78.176

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.