MMsINC Database Search


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MMsINC code: MMs01451975

Type: Neutral
Formula: C₁₉H₁₉F₂NO₆

SMILES:

Fc1ccc(F)cc1NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C19H19F2NO6/c1-25-15-6-11(7-16(26-2)19(15)27-3)8-18(24)28-10-17(23)22-14-9-12(20)4-5-13(14)21/h4-7,9H,8,10H2,1-3H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.601 kcal/mol

Physical Properties
Molecular Weight: 395.358 g/mol	logS: -4.56561	SlogP: 2.71497	Reactive groups: 1

Topological Properties
Globularity: 0.0355462	Sterimol/B1: 2.31053	Sterimol/B2: 3.2513	Sterimol/B3: 4.26857
Sterimol/B4: 9.50702	Sterimol/L: 20.8013

Surface and Volume Properties
Accessible surface: 673.039	Positive charged surface: 473.34	Negative charged surface: 199.699	Volume: 344.5
Hydrophobic surface: 570.388	Hydrophilic surface: 102.651

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.