MMsINC Database Search


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

MMsINC code: MMs01142371

Type: Neutral
Formula: C₂₃H₃₃N₃O₅

SMILES:

O(C)c1cc(OC)ccc1C(=O)N(C(C)C)CC(=O)N(Cc1n(ccc1)C)CCOC

InChI:

InChI=1/C23H33N3O5/c1-17(2)26(23(28)20-10-9-19(30-5)14-21(20)31-6)16-22(27)25(12-13-29-4)15-18-8-7-11-24(18)3/h7-11,14,17H,12-13,15-16H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=293.303 kcal/mol

Physical Properties
Molecular Weight: 431.533 g/mol	logS: -2.64747	SlogP: 3.1937	Reactive groups: 0

Topological Properties
Globularity: 0.134482	Sterimol/B1: 2.26222	Sterimol/B2: 3.3296	Sterimol/B3: 5.3188
Sterimol/B4: 9.87649	Sterimol/L: 16.8846

Surface and Volume Properties
Accessible surface: 712.678	Positive charged surface: 561.645	Negative charged surface: 151.033	Volume: 426
Hydrophobic surface: 603.591	Hydrophilic surface: 109.087

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.