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CHEMBLOCK-ZINC02190985

 MMsINC code: MMs00530178
Type: Neutral
Formula: C12H22N4O2
SMILES:   O=C1NC2N(CCCC)C(=O)NC2N1CCCC
InChI:   InChI=1/C12H22N4O2/c1-3-5-7-15-9-10(14-11(15)17)16(8-6-4-2)12(18)13-9/h9-10H,3-8H2,1-2H3,(H,13,18)(H,14,17)/t9-,10+

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Potential Energy
Epot(MMFF94)=20.7272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.334 g/mol  logS: -1.55368  SlogP: 1.2892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.093518  Sterimol/B1: 2.71714  Sterimol/B2: 3.1791  Sterimol/B3: 5.23953
  Sterimol/B4: 5.60691  Sterimol/L: 15.8937 
 
 Surface and Volume Properties
  Accessible surface: 510.124  Positive charged surface: 378.273  Negative charged surface: 131.851  Volume: 255.375
  Hydrophobic surface: 326.786  Hydrophilic surface: 183.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.