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MMsINC code: MMs00694699

Type: Ionized
Formula: C₁₄H₁₅N₂O₄-

SMILES:

O=C(N\C(=C\c1ccccc1)\C(=O)NC(C(=O)[O-])C)C

InChI:

InChI=1/C14H16N2O4/c1-9(14(19)20)15-13(18)12(16-10(2)17)8-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,18)(H,16,17)(H,19,20)/p-1/b12-8-/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4996 kcal/mol

Physical Properties
Molecular Weight: 275.284 g/mol	logS: -2.86581	SlogP: -0.5818	Reactive groups: 0

Topological Properties
Globularity: 0.112055	Sterimol/B1: 3.02177	Sterimol/B2: 3.61822	Sterimol/B3: 4.96268
Sterimol/B4: 5.57591	Sterimol/L: 14.849

Surface and Volume Properties
Accessible surface: 519.058	Positive charged surface: 281.407	Negative charged surface: 237.652	Volume: 261.375
Hydrophobic surface: 354.093	Hydrophilic surface: 164.965

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs00694698
CHEMBRIDGE-ZINC01581873