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MMsINC code: MMs01608668

Type: Neutral
Formula: C₁₅H₁₆N₂O₇

SMILES:

O1CCOc2cc([N+](=O)[O-])c(cc12)C(OC(C(=O)NC1CC1)C)=O

InChI:

InChI=1/C15H16N2O7/c1-8(14(18)16-9-2-3-9)24-15(19)10-6-12-13(23-5-4-22-12)7-11(10)17(20)21/h6-9H,2-5H2,1H3,(H,16,18)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.13 kcal/mol

Physical Properties
Molecular Weight: 336.3 g/mol	logS: -3.8586	SlogP: 1.1899	Reactive groups: 0

Topological Properties
Globularity: 0.0659887	Sterimol/B1: 2.2702	Sterimol/B2: 3.66829	Sterimol/B3: 5.64408
Sterimol/B4: 6.63418	Sterimol/L: 17.3531

Surface and Volume Properties
Accessible surface: 569.627	Positive charged surface: 347.612	Negative charged surface: 222.015	Volume: 289.5
Hydrophobic surface: 354.213	Hydrophilic surface: 215.414

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.