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APOLLO-ZINC04266511

 MMsINC code: MMs00057205
Type: Neutral
Formula: C10H20N2O3
SMILES:   O(CC)C(=O)N1CCN(CC1)CC(O)C
InChI:   InChI=1/C10H20N2O3/c1-3-15-10(14)12-6-4-11(5-7-12)8-9(2)13/h9,13H,3-8H2,1-2H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=35.9595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -0.23255  SlogP: 0.1413  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0639581  Sterimol/B1: 2.14711  Sterimol/B2: 2.86061  Sterimol/B3: 3.5588
  Sterimol/B4: 5.84528  Sterimol/L: 14.8754 
 
 Surface and Volume Properties
  Accessible surface: 459.587  Positive charged surface: 375.568  Negative charged surface: 84.0187  Volume: 219.625
  Hydrophobic surface: 335.688  Hydrophilic surface: 123.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00057206
APOLLO-ZINC04266511