MMsINC Database Search


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

MMsINC code: MMs00883828

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(CCCn1c2c(nc1Cc1ccc(OC)cc1)cccc2)c1ccccc1

InChI:

InChI=1/C24H24N2O2/c1-27-20-14-12-19(13-15-20)18-24-25-22-10-5-6-11-23(22)26(24)16-7-17-28-21-8-3-2-4-9-21/h2-6,8-15H,7,16-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0548 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.43021	SlogP: 5.37117	Reactive groups: 0

Topological Properties
Globularity: 0.0903979	Sterimol/B1: 2.15133	Sterimol/B2: 2.52454	Sterimol/B3: 5.76692
Sterimol/B4: 12.1088	Sterimol/L: 17.4289

Surface and Volume Properties
Accessible surface: 680.513	Positive charged surface: 437.871	Negative charged surface: 242.642	Volume: 381
Hydrophobic surface: 644.29	Hydrophilic surface: 36.223

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.