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MMsINC code: MMs01231009

Type: Neutral
Formula: C₁₉H₁₅N₂O₃-

SMILES:

O(C)c1ccc(cc1)-c1nn(cc1\C=C\C(=O)[O-])-c1ccccc1

InChI:

InChI=1/C19H16N2O3/c1-24-17-10-7-14(8-11-17)19-15(9-12-18(22)23)13-21(20-19)16-5-3-2-4-6-16/h2-13H,1H3,(H,22,23)/p-1/b12-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5222 kcal/mol

Physical Properties
Molecular Weight: 319.34 g/mol	logS: -4.72002	SlogP: 2.311	Reactive groups: 0

Topological Properties
Globularity: 0.0243469	Sterimol/B1: 2.55542	Sterimol/B2: 3.50207	Sterimol/B3: 3.6594
Sterimol/B4: 9.52594	Sterimol/L: 17.0838

Surface and Volume Properties
Accessible surface: 587.889	Positive charged surface: 306.581	Negative charged surface: 281.308	Volume: 308.875
Hydrophobic surface: 440.568	Hydrophilic surface: 147.321

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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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Ions/Tautomers related molecules

MMs01231010
ENAMINE-ZINC00459388