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APOLLO-ZINC01529114

 MMsINC code: MMs00049397
Type: Ionized
Formula: C10H21N2O2+
SMILES:   O(CC[NH2+]C1CCN(CC1)C(=O)C)C
InChI:   InChI=1/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3/p+1

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Potential Energy
Epot(MMFF94)=14.3243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.29 g/mol  logS: -0.10205  SlogP: -0.7929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633492  Sterimol/B1: 2.1418  Sterimol/B2: 3.04136  Sterimol/B3: 3.98995
  Sterimol/B4: 4.59444  Sterimol/L: 14.7134 
 
 Surface and Volume Properties
  Accessible surface: 445.824  Positive charged surface: 381.001  Negative charged surface: 64.8225  Volume: 215.125
  Hydrophobic surface: 378.277  Hydrophilic surface: 67.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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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Parent related molecule:


MMs00049396
APOLLO-ZINC01529114