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NCID-ZINC05600256

 MMsINC code: MMs02478899
Type: Neutral
Formula: C16H30N4O2
SMILES:   O=C(NCCCCCCNC(=O)C1NCCC1)C1NCCC1
InChI:   InChI=1/C16H30N4O2/c21-15(13-7-5-11-17-13)19-9-3-1-2-4-10-20-16(22)14-8-6-12-18-14/h13-14,17-18H,1-12H2,(H,19,21)(H,20,22)/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=43.5774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.442 g/mol  logS: -1.3814  SlogP: 0.2832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226105  Sterimol/B1: 2.5388  Sterimol/B2: 2.66055  Sterimol/B3: 4.04851
  Sterimol/B4: 4.53857  Sterimol/L: 22.773 
 
 Surface and Volume Properties
  Accessible surface: 655.132  Positive charged surface: 533.776  Negative charged surface: 121.356  Volume: 324.25
  Hydrophobic surface: 516.345  Hydrophilic surface: 138.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02478900
NCID-ZINC05600256