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NCID-ZINC01696209

 MMsINC code: MMs02326984
Type: Neutral
Formula: C7H10N4O3
SMILES:   O=C1NC(=O)NC=C1CNC(=O)NC
InChI:   InChI=1/C7H10N4O3/c1-8-6(13)9-2-4-3-10-7(14)11-5(4)12/h3H,2H2,1H3,(H2,8,9,13)(H2,10,11,12,14)

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Potential Energy
Epot(MMFF94)=-49.9409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.182 g/mol  logS: -0.43643  SlogP: -1.3613  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0754679  Sterimol/B1: 2.51452  Sterimol/B2: 3.7246  Sterimol/B3: 3.75019
  Sterimol/B4: 3.82776  Sterimol/L: 13.4641 
 
 Surface and Volume Properties
  Accessible surface: 389.432  Positive charged surface: 269.391  Negative charged surface: 120.041  Volume: 168
  Hydrophobic surface: 154.204  Hydrophilic surface: 235.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.