MMsINC Database Search


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

MMsINC code: MMs03434534

Type: Neutral
Formula: C₁₁H₂₀N₂O₄

SMILES:

O1CCN(CC1)CCNC(=O)CCCC(O)=O

InChI:

InChI=1/C11H20N2O4/c14-10(2-1-3-11(15)16)12-4-5-13-6-8-17-9-7-13/h1-9H2,(H,12,14)(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.5821 kcal/mol

Physical Properties
Molecular Weight: 244.291 g/mol	logS: 0.08607	SlogP: -0.3103	Reactive groups: 0

Topological Properties
Globularity: 0.0271779	Sterimol/B1: 2.3456	Sterimol/B2: 2.95836	Sterimol/B3: 3.24895
Sterimol/B4: 5.14608	Sterimol/L: 17.8281

Surface and Volume Properties
Accessible surface: 498.48	Positive charged surface: 399.333	Negative charged surface: 99.147	Volume: 237.375
Hydrophobic surface: 334.346	Hydrophilic surface: 164.134

Pharmacophoric Properties
Hydrogen bond donors: 3	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.