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MMsINC code: MMs00280350

Type: Tautomer
Formula: C₁₆H₁₄N₂O₃

SMILES:

Oc1ccccc1C(=O)NN\C=C/C(=O)c1ccccc1

InChI:

InChI=1/C16H14N2O3/c19-14(12-6-2-1-3-7-12)10-11-17-18-16(21)13-8-4-5-9-15(13)20/h1-11,17,20H,(H,18,21)/b11-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.81 kcal/mol

Physical Properties
Molecular Weight: 282.299 g/mol	logS: -3.23817	SlogP: 2.0232	Reactive groups: 1

Topological Properties
Globularity: 0.00178694	Sterimol/B1: 2.24324	Sterimol/B2: 2.35853	Sterimol/B3: 3.79056
Sterimol/B4: 4.58805	Sterimol/L: 18.426

Surface and Volume Properties
Accessible surface: 530.365	Positive charged surface: 276.6	Negative charged surface: 253.765	Volume: 266.125
Hydrophobic surface: 412.36	Hydrophilic surface: 118.005

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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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Parent related molecule:

MMs00280349
ASINEX-ZINC02893262