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MMsINC code: MMs00850840

Type: Neutral
Formula: C₁₂H₁₂N₂O₄

SMILES:

O=C1N(CCCC(O)=O)C(=O)Nc2c1cccc2

InChI:

InChI=1/C12H12N2O4/c15-10(16)6-3-7-14-11(17)8-4-1-2-5-9(8)13-12(14)18/h1-2,4-5H,3,6-7H2,(H,13,18)(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=0.364905 kcal/mol

Physical Properties
Molecular Weight: 248.238 g/mol	logS: -1.91144	SlogP: 1.5391	Reactive groups: 0

Topological Properties
Globularity: 0.0627704	Sterimol/B1: 2.66896	Sterimol/B2: 3.47099	Sterimol/B3: 3.55106
Sterimol/B4: 5.75334	Sterimol/L: 15.0567

Surface and Volume Properties
Accessible surface: 445.32	Positive charged surface: 266.376	Negative charged surface: 178.943	Volume: 218.75
Hydrophobic surface: 257.22	Hydrophilic surface: 188.1

Pharmacophoric Properties
Hydrogen bond donors: 3	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

search links for this molecule:

Ions/Tautomers related molecules

MMs00850841
CHEMDIV-ZINC00424199