MMsINC Database Search


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

MMsINC code: MMs01662457

Type: Neutral
Formula: C₁₅H₁₈N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)C)cc1)CC(=O)N1CCCC1

InChI:

InChI=1/C15H18N2O4/c1-11(18)16-13-6-4-12(5-7-13)15(20)21-10-14(19)17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8057 kcal/mol

Physical Properties
Molecular Weight: 290.319 g/mol	logS: -2.59502	SlogP: 1.4242	Reactive groups: 0

Topological Properties
Globularity: 0.0124695	Sterimol/B1: 2.48376	Sterimol/B2: 2.6971	Sterimol/B3: 3.01317
Sterimol/B4: 5.86631	Sterimol/L: 18.5789

Surface and Volume Properties
Accessible surface: 554.071	Positive charged surface: 372.085	Negative charged surface: 181.985	Volume: 273.5
Hydrophobic surface: 424.266	Hydrophilic surface: 129.805

Pharmacophoric Properties
Hydrogen bond donors: 1	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.