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MMsINC code: MMs03209986

Type: Neutral
Formula: C₁₂H₁₄N₂O₅

SMILES:

Oc1cccc(C(=O)CC(NC(=O)C)C(O)=O)c1N

InChI:

InChI=1/C12H14N2O5/c1-6(15)14-8(12(18)19)5-10(17)7-3-2-4-9(16)11(7)13/h2-4,8,16H,5,13H2,1H3,(H,14,15)(H,18,19)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4243 kcal/mol

Physical Properties
Molecular Weight: 266.253 g/mol	logS: -1.10641	SlogP: 0.1365	Reactive groups: 0

Topological Properties
Globularity: 0.0777002	Sterimol/B1: 2.12143	Sterimol/B2: 2.37206	Sterimol/B3: 3.93193
Sterimol/B4: 7.31274	Sterimol/L: 13.1581

Surface and Volume Properties
Accessible surface: 480.317	Positive charged surface: 295.996	Negative charged surface: 184.321	Volume: 234.125
Hydrophobic surface: 244.619	Hydrophilic surface: 235.698

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

MMs03209987
PUBCHEM-ZINC05137972