MMsINC Database Search


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

MMsINC code: MMs01189219

Type: Neutral
Formula: C₂₃H₃₂N₂O₂

SMILES:

O(CC=C)c1c2cc(n(c2ccc1)CC=C(C)C)C(=O)NCCCCCC

InChI:

InChI=1/C23H32N2O2/c1-5-7-8-9-14-24-23(26)21-17-19-20(25(21)15-13-18(3)4)11-10-12-22(19)27-16-6-2/h6,10-13,17H,2,5,7-9,14-16H2,1,3-4H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.4958 kcal/mol

Physical Properties
Molecular Weight: 368.521 g/mol	logS: -5.64612	SlogP: 5.7488	Reactive groups: 0

Topological Properties
Globularity: 0.0370506	Sterimol/B1: 3.47566	Sterimol/B2: 3.6697	Sterimol/B3: 7.84056
Sterimol/B4: 8.5509	Sterimol/L: 19.1644

Surface and Volume Properties
Accessible surface: 739.247	Positive charged surface: 502.371	Negative charged surface: 231.828	Volume: 400.875
Hydrophobic surface: 594.901	Hydrophilic surface: 144.346

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.