MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03263005

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

Oc1ccc(cc1N=Nc1ccc(cc1)C)CCCCCC

InChI:

InChI=1/C19H24N2O/c1-3-4-5-6-7-16-10-13-19(22)18(14-16)21-20-17-11-8-15(2)9-12-17/h8-14,22H,3-7H2,1-2H3/b21-20+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.3004 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -6.43967	SlogP: 6.23879	Reactive groups: 0

Topological Properties
Globularity: 0.0304168	Sterimol/B1: 2.2155	Sterimol/B2: 2.29728	Sterimol/B3: 4.38242
Sterimol/B4: 8.97995	Sterimol/L: 19.1087

Surface and Volume Properties
Accessible surface: 637.878	Positive charged surface: 416.029	Negative charged surface: 221.848	Volume: 319.125
Hydrophobic surface: 567.707	Hydrophilic surface: 70.171

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.