MMsINC Database Search


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MMsINC code: MMs01492896

Type: Neutral
Formula: C₁₆H₁₃F₂NO₆

SMILES:

FC(F)Oc1ccccc1NC(=O)COC(=O)c1ccc(O)cc1O

InChI:

InChI=1/C16H13F2NO6/c17-16(18)25-13-4-2-1-3-11(13)19-14(22)8-24-15(23)10-6-5-9(20)7-12(10)21/h1-7,16,20-21H,8H2,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.581 kcal/mol

Physical Properties
Molecular Weight: 353.277 g/mol	logS: -3.17339	SlogP: 2.9146	Reactive groups: 0

Topological Properties
Globularity: 0.0187042	Sterimol/B1: 2.2089	Sterimol/B2: 2.52088	Sterimol/B3: 3.99962
Sterimol/B4: 6.90289	Sterimol/L: 17.7222

Surface and Volume Properties
Accessible surface: 573.899	Positive charged surface: 325.561	Negative charged surface: 248.338	Volume: 290.125
Hydrophobic surface: 323.547	Hydrophilic surface: 250.352

Pharmacophoric Properties
Hydrogen bond donors: 3	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.