MMsINC Database Search


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

MMsINC code: MMs01293868

Type: Neutral
Formula: C₂₃H₃₀N₂O₂

SMILES:

o1c2c(nc1-c1ccc(N(C)C)cc1)c(O)c(cc2C(C)(C)C)C(C)(C)C

InChI:

InChI=1/C23H30N2O2/c1-22(2,3)16-13-17(23(4,5)6)20-18(19(16)26)24-21(27-20)14-9-11-15(12-10-14)25(7)8/h9-13,26H,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.045 kcal/mol

Physical Properties
Molecular Weight: 366.505 g/mol	logS: -7.67827	SlogP: 5.8614	Reactive groups: 0

Topological Properties
Globularity: 0.0375546	Sterimol/B1: 3.63019	Sterimol/B2: 3.64864	Sterimol/B3: 4.1618
Sterimol/B4: 6.36917	Sterimol/L: 18.1634

Surface and Volume Properties
Accessible surface: 653.443	Positive charged surface: 467.865	Negative charged surface: 185.578	Volume: 383.75
Hydrophobic surface: 492.27	Hydrophilic surface: 161.173

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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.