MMsINC Database Search


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

MMsINC code: MMs00928474

Type: Neutral
Formula: C₂₄H₃₂N₂O

SMILES:

O(C)c1ccccc1CN1CCN(CC1)C1CCC(CC1)c1ccccc1

InChI:

InChI=1/C24H32N2O/c1-27-24-10-6-5-9-22(24)19-25-15-17-26(18-16-25)23-13-11-21(12-14-23)20-7-3-2-4-8-20/h2-10,21,23H,11-19H2,1H3/t21-,23-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.771 kcal/mol

Physical Properties
Molecular Weight: 364.533 g/mol	logS: -4.32674	SlogP: 4.8056	Reactive groups: 0

Topological Properties
Globularity: 0.0843553	Sterimol/B1: 2.23203	Sterimol/B2: 2.45847	Sterimol/B3: 6.78151
Sterimol/B4: 7.24308	Sterimol/L: 18.8149

Surface and Volume Properties
Accessible surface: 660.53	Positive charged surface: 484.342	Negative charged surface: 176.189	Volume: 386
Hydrophobic surface: 650.792	Hydrophilic surface: 9.7379999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs00928475
CHEMDIV-ZINC04133899