MMsINC Database Search


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

MMsINC code: MMs01640173

Type: Neutral
Formula: C₁₉H₂₅N₃O₄

SMILES:

O(C)c1ccc(cc1)C1(NC(=O)N(CC(=O)N2CCCCC2)C1=O)CC

InChI:

InChI=1/C19H25N3O4/c1-3-19(14-7-9-15(26-2)10-8-14)17(24)22(18(25)20-19)13-16(23)21-11-5-4-6-12-21/h7-10H,3-6,11-13H2,1-2H3,(H,20,25)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0318 kcal/mol

Physical Properties
Molecular Weight: 359.426 g/mol	logS: -3.20248	SlogP: 2.1763	Reactive groups: 0

Topological Properties
Globularity: 0.0621937	Sterimol/B1: 2.50911	Sterimol/B2: 3.50916	Sterimol/B3: 4.38423
Sterimol/B4: 7.54194	Sterimol/L: 18.797

Surface and Volume Properties
Accessible surface: 607.542	Positive charged surface: 431.3	Negative charged surface: 176.242	Volume: 344.875
Hydrophobic surface: 479.293	Hydrophilic surface: 128.249

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.