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NCID-ZINC01598847

 MMsINC code: MMs02252299
Type: Neutral
Formula: C10H19NO2
SMILES:   O(C(=O)CCC1NCCCC1)CC
InChI:   InChI=1/C10H19NO2/c1-2-13-10(12)7-6-9-5-3-4-8-11-9/h9,11H,2-8H2,1H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=1.87698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -0.9307  SlogP: 1.4718  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0466656  Sterimol/B1: 2.77897  Sterimol/B2: 3.06743  Sterimol/B3: 3.39885
  Sterimol/B4: 4.30089  Sterimol/L: 14.8857 
 
 Surface and Volume Properties
  Accessible surface: 433.839  Positive charged surface: 348.976  Negative charged surface: 84.8626  Volume: 200.5
  Hydrophobic surface: 353.221  Hydrophilic surface: 80.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02252300
NCID-ZINC01598847