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MMsINC code: MMs02892819

Type: Ionized
Formula: C₁₇H₁₃N₂O₂-

SMILES:

O=C([O-])c1cc(nc2c1cc(cc2C)C)-c1ncccc1

InChI:

InChI=1/C17H14N2O2/c1-10-7-11(2)16-12(8-10)13(17(20)21)9-15(19-16)14-5-3-4-6-18-14/h3-9H,1-2H3,(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4397 kcal/mol

Physical Properties
Molecular Weight: 277.303 g/mol	logS: -3.9435	SlogP: 2.27714	Reactive groups: 0

Topological Properties
Globularity: 0.0106929	Sterimol/B1: 2.52741	Sterimol/B2: 2.65761	Sterimol/B3: 5.17044
Sterimol/B4: 6.06004	Sterimol/L: 15.2042

Surface and Volume Properties
Accessible surface: 503.29	Positive charged surface: 275.696	Negative charged surface: 222.833	Volume: 266
Hydrophobic surface: 389.111	Hydrophilic surface: 114.179

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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Parent related molecule:

MMs02892818
PUBCHEM-ZINC02521466