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MMsINC code: MMs01341031

Type: Neutral
Formula: C₁₆H₁₁N₂O₃-

SMILES:

Oc1n(nc(-c2ccccc2)c1C(=O)[O-])-c1ccccc1

InChI:

InChI=1/C16H12N2O3/c19-15-13(16(20)21)14(11-7-3-1-4-8-11)17-18(15)12-9-5-2-6-10-12/h1-10,19H,(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8235 kcal/mol

Physical Properties
Molecular Weight: 279.275 g/mol	logS: -4.11313	SlogP: 1.6084	Reactive groups: 0

Topological Properties
Globularity: 0.0276361	Sterimol/B1: 2.81676	Sterimol/B2: 2.93364	Sterimol/B3: 3.27363
Sterimol/B4: 7.23301	Sterimol/L: 14.8232

Surface and Volume Properties
Accessible surface: 489.296	Positive charged surface: 225.167	Negative charged surface: 264.129	Volume: 254.5
Hydrophobic surface: 377.612	Hydrophilic surface: 111.684

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01341032
ENAMINE-ZINC03268483