MMsINC Database Search


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

MMsINC code: MMs00419440

Type: Neutral
Formula: C₁₇H₂₆N₂O₃

SMILES:

O(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(C)C

InChI:

InChI=1/C17H26N2O3/c1-12(2)10-15(16(20)18-13(3)4)19-17(21)22-11-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,18,20)(H,19,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.4429 kcal/mol

Physical Properties
Molecular Weight: 306.406 g/mol	logS: -3.99424	SlogP: 3.1185	Reactive groups: 0

Topological Properties
Globularity: 0.063269	Sterimol/B1: 2.23622	Sterimol/B2: 2.7219	Sterimol/B3: 4.25599
Sterimol/B4: 8.82338	Sterimol/L: 17.7196

Surface and Volume Properties
Accessible surface: 615.795	Positive charged surface: 410.448	Negative charged surface: 205.347	Volume: 319.5
Hydrophobic surface: 457.715	Hydrophilic surface: 158.08

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.