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MMsINC code: MMs02843351

Type: Ionized
Formula: C₁₅H₁₀NO₃-

SMILES:

o1c2c(nc1-c1ccccc1)c(ccc2)CC(=O)[O-]

InChI:

InChI=1/C15H11NO3/c17-13(18)9-11-7-4-8-12-14(11)16-15(19-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7091 kcal/mol

Physical Properties
Molecular Weight: 252.249 g/mol	logS: -4.99187	SlogP: 1.78717	Reactive groups: 0

Topological Properties
Globularity: 0.0182093	Sterimol/B1: 2.90834	Sterimol/B2: 3.4992	Sterimol/B3: 3.93018
Sterimol/B4: 5.49405	Sterimol/L: 14.7347

Surface and Volume Properties
Accessible surface: 469.494	Positive charged surface: 235.959	Negative charged surface: 233.535	Volume: 234.625
Hydrophobic surface: 352.57	Hydrophilic surface: 116.924

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

search links for this molecule:

Parent related molecule:

MMs02843350
PUBCHEM-ZINC02001055