MMsINC Database Search


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MMsINC code: MMs01462685

Type: Neutral
Formula: C₁₇H₁₅FN₂O₇

SMILES:

Fc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C17H15FN2O7/c1-25-14-6-3-10(7-15(14)26-2)17(22)27-9-16(21)19-13-8-11(20(23)24)4-5-12(13)18/h3-8H,9H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.971 kcal/mol

Physical Properties
Molecular Weight: 378.312 g/mol	logS: -4.94901	SlogP: 2.5466	Reactive groups: 0

Topological Properties
Globularity: 0.0142605	Sterimol/B1: 1.98628	Sterimol/B2: 2.49454	Sterimol/B3: 3.52345
Sterimol/B4: 7.55502	Sterimol/L: 18.1538

Surface and Volume Properties
Accessible surface: 628.4	Positive charged surface: 375.407	Negative charged surface: 252.992	Volume: 317.5
Hydrophobic surface: 447.123	Hydrophilic surface: 181.277

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.