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ENAMINE-ZINC02633256

 MMsINC code: MMs01263760
Type: Neutral
Formula: C10H19N2O3+
SMILES:   O(C(=O)CC[NH+]1CCC(CC1)C(=O)N)C
InChI:   InChI=1/C10H18N2O3/c1-15-9(13)4-7-12-5-2-8(3-6-12)10(11)14/h8H,2-7H2,1H3,(H2,11,14)/p+1

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Potential Energy
Epot(MMFF94)=-1.80467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.273 g/mol  logS: -0.34155  SlogP: -1.6703  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0541206  Sterimol/B1: 2.95993  Sterimol/B2: 3.00987  Sterimol/B3: 3.37076
  Sterimol/B4: 4.50247  Sterimol/L: 15.3518 
 
 Surface and Volume Properties
  Accessible surface: 452.594  Positive charged surface: 365.588  Negative charged surface: 87.0063  Volume: 213.375
  Hydrophobic surface: 284.224  Hydrophilic surface: 168.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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


MMs01263761
ENAMINE-ZINC02633256