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MMsINC code: MMs00016346

Type: Neutral
Formula: C₁₉H₂₃N₃O₂

SMILES:

OC(=O)c1ccccc1N=Nc1ccc(N(CCC)CCC)cc1

InChI:

InChI=1/C19H23N3O2/c1-3-13-22(14-4-2)16-11-9-15(10-12-16)20-21-18-8-6-5-7-17(18)19(23)24/h5-12H,3-4,13-14H2,1-2H3,(H,23,24)/b21-20+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0924 kcal/mol

Physical Properties
Molecular Weight: 325.412 g/mol	logS: -4.23245	SlogP: 5.4266	Reactive groups: 0

Topological Properties
Globularity: 0.0282742	Sterimol/B1: 2.09435	Sterimol/B2: 2.54279	Sterimol/B3: 3.68849
Sterimol/B4: 8.67752	Sterimol/L: 17.597

Surface and Volume Properties
Accessible surface: 619.69	Positive charged surface: 392.575	Negative charged surface: 227.115	Volume: 332.875
Hydrophobic surface: 477.772	Hydrophilic surface: 141.918

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00016347
ACROSORGANICS-ZINC03894832