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BACHEM-ZINC02522703

 MMsINC code: MMs00483441
Type: Neutral
Formula: C10H13N3O3
SMILES:   O(Cc1ccccc1)C(=O)NNC(=O)CN
InChI:   InChI=1/C10H13N3O3/c11-6-9(14)12-13-10(15)16-7-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,14)(H,13,15)

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Potential Energy
Epot(MMFF94)=53.0359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.232 g/mol  logS: -1.58368  SlogP: 0.1691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790541  Sterimol/B1: 2.34279  Sterimol/B2: 3.61616  Sterimol/B3: 3.62668
  Sterimol/B4: 6.80211  Sterimol/L: 13.9087 
 
 Surface and Volume Properties
  Accessible surface: 466.485  Positive charged surface: 295.414  Negative charged surface: 171.07  Volume: 207.625
  Hydrophobic surface: 268.174  Hydrophilic surface: 198.311
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  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


MMs00483442
BACHEM-ZINC02522703