MMsINC Database Search


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

MMsINC code: MMs01145540

Type: Neutral
Formula: C₂₃H₂₆N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NCCCCCC

InChI:

InChI=1/C23H26N2O2/c1-3-4-5-8-15-24-23(26)20-16-22(17-11-13-18(27-2)14-12-17)25-21-10-7-6-9-19(20)21/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0281 kcal/mol

Physical Properties
Molecular Weight: 362.473 g/mol	logS: -6.63975	SlogP: 5.2205	Reactive groups: 0

Topological Properties
Globularity: 0.0106584	Sterimol/B1: 2.4273	Sterimol/B2: 2.62892	Sterimol/B3: 6.63063
Sterimol/B4: 9.61164	Sterimol/L: 18.4059

Surface and Volume Properties
Accessible surface: 699.262	Positive charged surface: 467.521	Negative charged surface: 219.265	Volume: 375.375
Hydrophobic surface: 610.547	Hydrophilic surface: 88.715

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.