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PUBCHEM-ZINC05415213

 MMsINC code: MMs03261738
Type: Neutral
Formula: C11H22N4O2
SMILES:   O=C(NC1CCC(NC(=O)N)(CC1(C)C)C)N
InChI:   InChI=1/C11H22N4O2/c1-10(2)6-11(3,15-9(13)17)5-4-7(10)14-8(12)16/h7H,4-6H2,1-3H3,(H3,12,14,16)(H3,13,15,17)/t7-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=17.5635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.323 g/mol  logS: -1.51677  SlogP: 0.6604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24243  Sterimol/B1: 2.72415  Sterimol/B2: 3.34115  Sterimol/B3: 3.90118
  Sterimol/B4: 6.26373  Sterimol/L: 13.0427 
 
 Surface and Volume Properties
  Accessible surface: 437.767  Positive charged surface: 310.852  Negative charged surface: 126.915  Volume: 233.5
  Hydrophobic surface: 188.573  Hydrophilic surface: 249.194
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.