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NCID-ZINC01601281

 MMsINC code: MMs02254258
Type: Neutral
Formula: C10H20N4O2
SMILES:   O=C(NC1CCC(NC(=O)NC)CC1)NC
InChI:   InChI=1/C10H20N4O2/c1-11-9(15)13-7-3-5-8(6-4-7)14-10(16)12-2/h7-8H,3-6H2,1-2H3,(H2,11,13,15)(H2,12,14,16)/t7-,8-

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Potential Energy
Epot(MMFF94)=-42.7511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.296 g/mol  logS: -0.57404  SlogP: 0.1556  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0465217  Sterimol/B1: 2.54202  Sterimol/B2: 2.67906  Sterimol/B3: 3.16851
  Sterimol/B4: 5.02161  Sterimol/L: 17.0429 
 
 Surface and Volume Properties
  Accessible surface: 481.153  Positive charged surface: 408.386  Negative charged surface: 72.7672  Volume: 225
  Hydrophobic surface: 337.913  Hydrophilic surface: 143.24
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.