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NCID-ZINC04722633

 MMsINC code: MMs02397733
Type: Neutral
Formula: C14H26N4O2
SMILES:   O=C(NCCCCCCNC(=O)N1CC1C)N1CC1C
InChI:   InChI=1/C14H26N4O2/c1-11-9-17(11)13(19)15-7-5-3-4-6-8-16-14(20)18-10-12(18)2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,16,20)/t11-,12-,17?,18?/m0/s1

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Potential Energy
Epot(MMFF94)=54.4993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.388 g/mol  logS: -1.16532  SlogP: 1.3742  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0196949  Sterimol/B1: 2.28619  Sterimol/B2: 3.18982  Sterimol/B3: 3.7084
  Sterimol/B4: 4.03856  Sterimol/L: 22.1524 
 
 Surface and Volume Properties
  Accessible surface: 630.218  Positive charged surface: 469.831  Negative charged surface: 160.387  Volume: 300.375
  Hydrophobic surface: 521.676  Hydrophilic surface: 108.542
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.