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NCID-ZINC04887020

 MMsINC code: MMs02412421
Type: Neutral
Formula: C11H19NO2
SMILES:   O(C(=O)C1C2N(C(CC1)CC2)C)CC
InChI:   InChI=1/C11H19NO2/c1-3-14-11(13)9-6-4-8-5-7-10(9)12(8)2/h8-10H,3-7H2,1-2H3/t8-,9+,10-/m0/s1

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Potential Energy
Epot(MMFF94)=42.3105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.278 g/mol  logS: -1.08505  SlogP: 1.4223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154975  Sterimol/B1: 3.50589  Sterimol/B2: 3.60575  Sterimol/B3: 3.60673
  Sterimol/B4: 4.51419  Sterimol/L: 12.4505 
 
 Surface and Volume Properties
  Accessible surface: 410.734  Positive charged surface: 331.733  Negative charged surface: 79.001  Volume: 205.125
  Hydrophobic surface: 361.988  Hydrophilic surface: 48.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02412422
NCID-ZINC04887020