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MMsINC code: MMs00846946

Type: Ionized
Formula: C₁₅H₁₅N₂O₂-

SMILES:

O=C([O-])c1cc(N)c(N(Cc2ccccc2)C)cc1

InChI:

InChI=1/C15H16N2O2/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(15(18)19)9-13(14)16/h2-9H,10,16H2,1H3,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.4194 kcal/mol

Physical Properties
Molecular Weight: 255.297 g/mol	logS: -3.03092	SlogP: 1.5351	Reactive groups: 0

Topological Properties
Globularity: 0.158547	Sterimol/B1: 2.31297	Sterimol/B2: 2.42741	Sterimol/B3: 4.80864
Sterimol/B4: 6.61317	Sterimol/L: 14.4553

Surface and Volume Properties
Accessible surface: 474.467	Positive charged surface: 280.844	Negative charged surface: 193.623	Volume: 256.75
Hydrophobic surface: 344.032	Hydrophilic surface: 130.435

Pharmacophoric Properties
Hydrogen bond donors: 1	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:

MMs00846945
CHEMDIV-ZINC00258230