MMsINC Database Search


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MMsINC code: MMs01353247

Type: Neutral
Formula: C₂₀H₁₅F₂NO₅

SMILES:

FC(F)Oc1ccc(NC(=O)COC(=O)c2cc3c(cc2O)cccc3)cc1

InChI:

InChI=1/C20H15F2NO5/c21-20(22)28-15-7-5-14(6-8-15)23-18(25)11-27-19(26)16-9-12-3-1-2-4-13(12)10-17(16)24/h1-10,20,24H,11H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.503 kcal/mol

Physical Properties
Molecular Weight: 387.338 g/mol	logS: -5.41322	SlogP: 4.3622	Reactive groups: 0

Topological Properties
Globularity: 0.0119035	Sterimol/B1: 2.56404	Sterimol/B2: 3.13652	Sterimol/B3: 3.20085
Sterimol/B4: 7.96652	Sterimol/L: 19.9842

Surface and Volume Properties
Accessible surface: 637.051	Positive charged surface: 338.324	Negative charged surface: 287.656	Volume: 330.5
Hydrophobic surface: 431.439	Hydrophilic surface: 205.612

Pharmacophoric Properties
Hydrogen bond donors: 2	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.