MMsINC Database Search


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MMsINC code: MMs01425820

Type: Neutral
Formula: C₁₈H₁₅F₂NO₆

SMILES:

FC(F)Oc1cc(ccc1)C(=O)Nc1cc(cc(c1)C(OC)=O)C(OC)=O

InChI:

InChI=1/C18H15F2NO6/c1-25-16(23)11-6-12(17(24)26-2)8-13(7-11)21-15(22)10-4-3-5-14(9-10)27-18(19)20/h3-9,18H,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.8624 kcal/mol

Physical Properties
Molecular Weight: 379.315 g/mol	logS: -4.25258	SlogP: 3.5334	Reactive groups: 0

Topological Properties
Globularity: 0.0190294	Sterimol/B1: 2.01907	Sterimol/B2: 2.75927	Sterimol/B3: 3.07672
Sterimol/B4: 9.49446	Sterimol/L: 18.5251

Surface and Volume Properties
Accessible surface: 629.015	Positive charged surface: 386.834	Negative charged surface: 242.181	Volume: 321
Hydrophobic surface: 420.532	Hydrophilic surface: 208.483

Pharmacophoric Properties
Hydrogen bond donors: 1	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.