MMsINC Database Search


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MMsINC code: MMs02334538

Type: Ionized
Formula: C₁₉H₁₂NO₂-

SMILES:

O=C([O-])c1ccccc1-n1c2c(c3c1cccc3)cccc2

InChI:

InChI=1/C19H13NO2/c21-19(22)15-9-3-6-12-18(15)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-12H,(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3376 kcal/mol

Physical Properties
Molecular Weight: 286.31 g/mol	logS: -5.46918	SlogP: 3.1472	Reactive groups: 0

Topological Properties
Globularity: 0.125214	Sterimol/B1: 3.09552	Sterimol/B2: 3.79794	Sterimol/B3: 4.12096
Sterimol/B4: 8.74343	Sterimol/L: 12.5491

Surface and Volume Properties
Accessible surface: 487.812	Positive charged surface: 229.23	Negative charged surface: 248.273	Volume: 276
Hydrophobic surface: 420.209	Hydrophilic surface: 67.603

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

MMs02334537
NCID-ZINC01706126