MMsINC Database Search


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

MMsINC code: MMs00188573

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(NCCc1ccccc1)c1ccccc1C(=O)NCCc1ccccc1

InChI:

InChI=1/C24H24N2O2/c27-23(25-17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)24(28)26-18-16-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.752 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.33588	SlogP: 3.63154	Reactive groups: 0

Topological Properties
Globularity: 0.0415894	Sterimol/B1: 2.51134	Sterimol/B2: 3.45445	Sterimol/B3: 3.85773
Sterimol/B4: 11.1707	Sterimol/L: 18.3426

Surface and Volume Properties
Accessible surface: 710.455	Positive charged surface: 423.647	Negative charged surface: 286.808	Volume: 382.875
Hydrophobic surface: 644.705	Hydrophilic surface: 65.75

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.