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NCID-ZINC01666710

 MMsINC code: MMs02302857
Type: Neutral
Formula: C11H22N2O3
SMILES:   O1CCN(CC1)CCCNC(OC(C)C)=O
InChI:   InChI=1/C11H22N2O3/c1-10(2)16-11(14)12-4-3-5-13-6-8-15-9-7-13/h10H,3-9H2,1-2H3,(H,12,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.8358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -0.88549  SlogP: 0.8433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338368  Sterimol/B1: 2.48449  Sterimol/B2: 2.62972  Sterimol/B3: 3.74292
  Sterimol/B4: 5.12036  Sterimol/L: 16.6716 
 
 Surface and Volume Properties
  Accessible surface: 504.598  Positive charged surface: 413.54  Negative charged surface: 91.0573  Volume: 237
  Hydrophobic surface: 382.508  Hydrophilic surface: 122.09
 
 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
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Ions/Tautomers related molecules


MMs02302858
NCID-ZINC01666710