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NCID-ZINC01726421

 MMsINC code: MMs02350114
Type: Neutral
Formula: C11H21NO2
SMILES:   O(C(=O)CC1N(CCC1)C)CCCC
InChI:   InChI=1/C11H21NO2/c1-3-4-8-14-11(13)9-10-6-5-7-12(10)2/h10H,3-9H2,1-2H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.2823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.3751  SlogP: 1.814  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0434441  Sterimol/B1: 2.6677  Sterimol/B2: 3.38956  Sterimol/B3: 4.08151
  Sterimol/B4: 4.1129  Sterimol/L: 15.4683 
 
 Surface and Volume Properties
  Accessible surface: 467.958  Positive charged surface: 385.41  Negative charged surface: 82.548  Volume: 220.25
  Hydrophobic surface: 410.44  Hydrophilic surface: 57.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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
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Ions/Tautomers related molecules


MMs02350115
NCID-ZINC01726421