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NCID-ZINC04994407

 MMsINC code: MMs02425630
Type: Neutral
Formula: C18H34N4O2
SMILES:   O=C(NCCCCCCCCNC(=O)CCN1CC1)CCN1CC1
InChI:   InChI=1/C18H34N4O2/c23-17(7-11-21-13-14-21)19-9-5-3-1-2-4-6-10-20-18(24)8-12-22-15-16-22/h1-16H2,(H,19,23)(H,20,24)

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Potential Energy
Epot(MMFF94)=22.5876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.496 g/mol  logS: -1.6305  SlogP: 0.9708  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0106325  Sterimol/B1: 2.13752  Sterimol/B2: 2.94548  Sterimol/B3: 3.4076
  Sterimol/B4: 3.60797  Sterimol/L: 28.0001 
 
 Surface and Volume Properties
  Accessible surface: 745.773  Positive charged surface: 558.727  Negative charged surface: 187.046  Volume: 368.875
  Hydrophobic surface: 630.805  Hydrophilic surface: 114.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02425631
NCID-ZINC04994407