MMsINC Database Search


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MMsINC code: MMs01470512

Type: Neutral
Formula: C₂₀H₂₃F₂NO₆

SMILES:

FC(F)Oc1ccc(cc1OC)C(OCC(=O)c1cc(n(CCOC)c1C)C)=O

InChI:

InChI=1/C20H23F2NO6/c1-12-9-15(13(2)23(12)7-8-26-3)16(24)11-28-19(25)14-5-6-17(29-20(21)22)18(10-14)27-4/h5-6,9-10,20H,7-8,11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.406 kcal/mol

Physical Properties
Molecular Weight: 411.401 g/mol	logS: -3.15714	SlogP: 4.08734	Reactive groups: 0

Topological Properties
Globularity: 0.023315	Sterimol/B1: 2.37478	Sterimol/B2: 2.91703	Sterimol/B3: 4.1448
Sterimol/B4: 7.69192	Sterimol/L: 21.2167

Surface and Volume Properties
Accessible surface: 700.972	Positive charged surface: 470.563	Negative charged surface: 230.409	Volume: 372.75
Hydrophobic surface: 522.315	Hydrophilic surface: 178.657

Pharmacophoric Properties
Hydrogen bond donors: 0	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.