MMsINC Database Search


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MMsINC code: MMs01495976

Type: Neutral
Formula: C₁₈H₁₃F₂NO₆

SMILES:

FC(F)Oc1ccccc1C(OCC(=O)c1cc2NC(=O)COc2cc1)=O

InChI:

InChI=1/C18H13F2NO6/c19-18(20)27-14-4-2-1-3-11(14)17(24)26-8-13(22)10-5-6-15-12(7-10)21-16(23)9-25-15/h1-7,18H,8-9H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.504 kcal/mol

Physical Properties
Molecular Weight: 377.299 g/mol	logS: -4.40142	SlogP: 3.0785	Reactive groups: 0

Topological Properties
Globularity: 0.00716742	Sterimol/B1: 2.56449	Sterimol/B2: 2.67035	Sterimol/B3: 2.90476
Sterimol/B4: 7.36866	Sterimol/L: 18.5138

Surface and Volume Properties
Accessible surface: 593.423	Positive charged surface: 324.137	Negative charged surface: 269.285	Volume: 309.375
Hydrophobic surface: 358.872	Hydrophilic surface: 234.551

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.