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NCID-ZINC01634264

 MMsINC code: MMs02278328
Type: Neutral
Formula: C10H19NO2
SMILES:   O(C(=O)C1(N)CCCC1)CCCC
InChI:   InChI=1/C10H19NO2/c1-2-3-8-13-9(12)10(11)6-4-5-7-10/h2-8,11H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.1853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.69019  SlogP: 1.6012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0656246  Sterimol/B1: 2.7006  Sterimol/B2: 3.36217  Sterimol/B3: 3.36979
  Sterimol/B4: 4.01495  Sterimol/L: 14.4103 
 
 Surface and Volume Properties
  Accessible surface: 429.129  Positive charged surface: 325.668  Negative charged surface: 103.461  Volume: 199.875
  Hydrophobic surface: 335.544  Hydrophilic surface: 93.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.