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NCID-ZINC01658818

 MMsINC code: MMs02296624
Type: Neutral
Formula: C10H11N3O2
SMILES:   O=C1N(C(=O)C)C(=Nc2[nH]cc(c12)C)C
InChI:   InChI=1/C10H11N3O2/c1-5-4-11-9-8(5)10(15)13(7(3)14)6(2)12-9/h4,11H,1-3H3

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Potential Energy
Epot(MMFF94)=52.7178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.217 g/mol  logS: -1.40244  SlogP: 1.37532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0281171  Sterimol/B1: 2.26149  Sterimol/B2: 2.51704  Sterimol/B3: 2.80479
  Sterimol/B4: 5.89593  Sterimol/L: 10.9092 
 
 Surface and Volume Properties
  Accessible surface: 388.136  Positive charged surface: 235.391  Negative charged surface: 152.746  Volume: 185.375
  Hydrophobic surface: 265.456  Hydrophilic surface: 122.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.