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ASINEX-ZINC00186837

 MMsINC code: MMs00087766
Type: Neutral
Formula: C10H15N3O2
SMILES:   O=C1NC(=O)NC=C1NC1CCCCC1
InChI:   InChI=1/C10H15N3O2/c14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H2,11,13,14,15)

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Potential Energy
Epot(MMFF94)=15.5413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.249 g/mol  logS: -1.71668  SlogP: 0.5895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0938764  Sterimol/B1: 2.73358  Sterimol/B2: 2.76976  Sterimol/B3: 3.83083
  Sterimol/B4: 4.81901  Sterimol/L: 12.958 
 
 Surface and Volume Properties
  Accessible surface: 403.14  Positive charged surface: 281.55  Negative charged surface: 121.59  Volume: 197.375
  Hydrophobic surface: 232.971  Hydrophilic surface: 170.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.