MMsINC Database Search


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

MMsINC code: MMs00795838

Type: Neutral
Formula: C₂₄H₃₂N₂O₂

SMILES:

O(CCCCN1CCN(CC1)Cc1ccccc1)c1ccccc1C(=O)CC

InChI:

InChI=1/C24H32N2O2/c1-2-23(27)22-12-6-7-13-24(22)28-19-9-8-14-25-15-17-26(18-16-25)20-21-10-4-3-5-11-21/h3-7,10-13H,2,8-9,14-20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.738 kcal/mol

Physical Properties
Molecular Weight: 380.532 g/mol	logS: -4.06536	SlogP: 4.5225	Reactive groups: 0

Topological Properties
Globularity: 0.0453947	Sterimol/B1: 2.3485	Sterimol/B2: 2.89746	Sterimol/B3: 5.43987
Sterimol/B4: 7.96761	Sterimol/L: 20.8288

Surface and Volume Properties
Accessible surface: 731.947	Positive charged surface: 537.428	Negative charged surface: 194.519	Volume: 404.375
Hydrophobic surface: 674.646	Hydrophilic surface: 57.301

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules

MMs00795839
CHEMBRIDGE-ZINC04833740