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MMsINC code: MMs00865627

Type: Ionized
Formula: C₂₃H₁₉N₂O₂-

SMILES:

O=C([O-])c1ccc(NCc2c3c(n(c2)Cc2ccccc2)cccc3)cc1

InChI:

InChI=1/C23H20N2O2/c26-23(27)18-10-12-20(13-11-18)24-14-19-16-25(15-17-6-2-1-3-7-17)22-9-5-4-8-21(19)22/h1-13,16,24H,14-15H2,(H,26,27)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6116 kcal/mol

Physical Properties
Molecular Weight: 355.417 g/mol	logS: -5.1309	SlogP: 4.198	Reactive groups: 0

Topological Properties
Globularity: 0.055468	Sterimol/B1: 2.43908	Sterimol/B2: 2.88108	Sterimol/B3: 4.67824
Sterimol/B4: 7.14235	Sterimol/L: 19.8931

Surface and Volume Properties
Accessible surface: 638.664	Positive charged surface: 336.71	Negative charged surface: 298.051	Volume: 357.125
Hydrophobic surface: 515.467	Hydrophilic surface: 123.197

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:

MMs00865626
CHEMDIV-ZINC01414791