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ASINEX-ZINC00043515

 MMsINC code: MMs00063233
Type: Neutral
Formula: C10H17N3O2
SMILES:   O=C1NCCN1C(=O)NC1CCCCC1
InChI:   InChI=1/C10H17N3O2/c14-9-11-6-7-13(9)10(15)12-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)(H,12,15)

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Potential Energy
Epot(MMFF94)=-7.78273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.265 g/mol  logS: -1.34685  SlogP: 1.0539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740908  Sterimol/B1: 2.72177  Sterimol/B2: 3.31668  Sterimol/B3: 3.57508
  Sterimol/B4: 3.99726  Sterimol/L: 13.3738 
 
 Surface and Volume Properties
  Accessible surface: 423.731  Positive charged surface: 332.205  Negative charged surface: 91.5261  Volume: 203.25
  Hydrophobic surface: 309.203  Hydrophilic surface: 114.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.