MMsINC Database Search


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

MMsINC code: MMs00515727

Type: Neutral
Formula: C₂₁H₃₂N₂O₃

SMILES:

O(C)c1ccccc1CN(C(=O)C)C1CC(N(C(=O)C)C(C1)(C)C)(C)C

InChI:

InChI=1/C21H32N2O3/c1-15(24)22(14-17-10-8-9-11-19(17)26-7)18-12-20(3,4)23(16(2)25)21(5,6)13-18/h8-11,18H,12-14H2,1-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=299.335 kcal/mol

Physical Properties
Molecular Weight: 360.498 g/mol	logS: -3.41792	SlogP: 3.8782	Reactive groups: 0

Topological Properties
Globularity: 0.165093	Sterimol/B1: 2.8458	Sterimol/B2: 3.33687	Sterimol/B3: 4.93526
Sterimol/B4: 8.38313	Sterimol/L: 14.2533

Surface and Volume Properties
Accessible surface: 573.23	Positive charged surface: 393.349	Negative charged surface: 179.881	Volume: 365.75
Hydrophobic surface: 471.847	Hydrophilic surface: 101.383

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.