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PUBCHEM-ZINC02048300

 MMsINC code: MMs02865740
Type: Neutral
Formula: C10H20N2O2
SMILES:   OC(=O)C(NN)CCC1CCCCC1
InChI:   InChI=1/C10H20N2O2/c11-12-9(10(13)14)7-6-8-4-2-1-3-5-8/h8-9,12H,1-7,11H2,(H,13,14)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=56.1175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -2.77593  SlogP: 1.2634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0921972  Sterimol/B1: 3.13206  Sterimol/B2: 3.16692  Sterimol/B3: 3.74869
  Sterimol/B4: 4.30847  Sterimol/L: 12.5988 
 
 Surface and Volume Properties
  Accessible surface: 424.991  Positive charged surface: 326.185  Negative charged surface: 98.8055  Volume: 205.125
  Hydrophobic surface: 257.54  Hydrophilic surface: 167.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02865741
PUBCHEM-ZINC02048300