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MMsINC code: MMs02909935

Type: Ionized
Formula: C₁₉H₁₅N₂O₃-

SMILES:

O=C(NC(C(=O)[O-])C)c1cc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C19H16N2O3/c1-12(19(23)24)20-18(22)15-11-17(13-7-3-2-4-8-13)21-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,20,22)(H,23,24)/p-1/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6339 kcal/mol

Physical Properties
Molecular Weight: 319.34 g/mol	logS: -5.09823	SlogP: 1.77	Reactive groups: 0

Topological Properties
Globularity: 0.0625728	Sterimol/B1: 2.2964	Sterimol/B2: 3.36962	Sterimol/B3: 4.85878
Sterimol/B4: 9.42443	Sterimol/L: 14.2288

Surface and Volume Properties
Accessible surface: 568.761	Positive charged surface: 283.745	Negative charged surface: 274.672	Volume: 303.375
Hydrophobic surface: 418.68	Hydrophilic surface: 150.081

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Parent related molecule:

MMs02909934
PUBCHEM-ZINC02685571