MMsINC Database Search


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MMsINC code: MMs02666820

Type: Ionized
Formula: C₁₉H₁₆NO₂-

SMILES:

O=C([O-])c1cc(nc2c1cccc2C)-c1ccc(cc1C)C

InChI:

InChI=1/C19H17NO2/c1-11-7-8-14(13(3)9-11)17-10-16(19(21)22)15-6-4-5-12(2)18(15)20-17/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)=76.4394 kcal/mol

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

Topological Properties
Globularity: 0.0787871	Sterimol/B1: 2.86606	Sterimol/B2: 4.30864	Sterimol/B3: 5.01552
Sterimol/B4: 6.26831	Sterimol/L: 15.2272

Surface and Volume Properties
Accessible surface: 527.627	Positive charged surface: 273.611	Negative charged surface: 245.885	Volume: 289.625
Hydrophobic surface: 437.232	Hydrophilic surface: 90.395

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:

MMs02666819
PUBCHEM-ZINC00374797