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CHEMBRIDGE-ZINC03152006

 MMsINC code: MMs00752571
Type: Neutral
Formula: C16H30N4O2
SMILES:   O=C(NC1CCCCC1)NCCNC(=O)NC1CCCCC1
InChI:   InChI=1/C16H30N4O2/c21-15(19-13-7-3-1-4-8-13)17-11-12-18-16(22)20-14-9-5-2-6-10-14/h13-14H,1-12H2,(H2,17,19,21)(H2,18,20,22)

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Potential Energy
Epot(MMFF94)=-32.7257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.442 g/mol  logS: -2.5604  SlogP: 2.2502  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0188426  Sterimol/B1: 2.83536  Sterimol/B2: 3.29244  Sterimol/B3: 3.5247
  Sterimol/B4: 4.07124  Sterimol/L: 21.5833 
 
 Surface and Volume Properties
  Accessible surface: 627.03  Positive charged surface: 505.445  Negative charged surface: 121.585  Volume: 319.75
  Hydrophobic surface: 497.073  Hydrophilic surface: 129.957
 
 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.