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NCID-ZINC05464010

 MMsINC code: MMs02464610
Type: Neutral
Formula: C10H17NO2
SMILES:   OC(=O)C(N)C=1CCCCCCC=1
InChI:   InChI=1/C10H17NO2/c11-9(10(12)13)8-6-4-2-1-3-5-7-8/h6,9H,1-5,7,11H2,(H,12,13)/b8-6+/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=92.4728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.251 g/mol  logS: -2.08016  SlogP: 1.6789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.352513  Sterimol/B1: 2.64131  Sterimol/B2: 3.35589  Sterimol/B3: 4.74366
  Sterimol/B4: 4.76441  Sterimol/L: 9.88858 
 
 Surface and Volume Properties
  Accessible surface: 367.158  Positive charged surface: 261.493  Negative charged surface: 105.665  Volume: 183.75
  Hydrophobic surface: 225.805  Hydrophilic surface: 141.353
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: no related molecules available.