MMsINC Database Search


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MMsINC code: MMs03284029

Type: Ionized
Formula: C₁₉H₁₆NO₂-

SMILES:

O=C([O-])c1c2c(nc(-c3ccccc3)c1C)cc(cc2C)C

InChI:

InChI=1/C19H17NO2/c1-11-9-12(2)16-15(10-11)20-18(13(3)17(16)19(21)22)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.873 kcal/mol

Physical Properties
Molecular Weight: 290.342 g/mol	logS: -5.70676	SlogP: 3.19056	Reactive groups: 0

Topological Properties
Globularity: 0.0631037	Sterimol/B1: 2.332	Sterimol/B2: 3.29192	Sterimol/B3: 3.56375
Sterimol/B4: 8.51801	Sterimol/L: 14.3116

Surface and Volume Properties
Accessible surface: 519.824	Positive charged surface: 274.479	Negative charged surface: 239.116	Volume: 289.125
Hydrophobic surface: 444.835	Hydrophilic surface: 74.989

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:

MMs03284028
PUBCHEM-ZINC05488651