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NCID-ZINC01605590

 MMsINC code: MMs02257791
Type: Neutral
Formula: C15H27N3O2
SMILES:   O=C(N(C(=O)NC1CCCCC1)C1CCCCC1)CN
InChI:   InChI=1/C15H27N3O2/c16-11-14(19)18(13-9-5-2-6-10-13)15(20)17-12-7-3-1-4-8-12/h12-13H,1-11,16H2,(H,17,20)

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Potential Energy
Epot(MMFF94)=34.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.4 g/mol  logS: -2.51929  SlogP: 2.1487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116329  Sterimol/B1: 3.44072  Sterimol/B2: 3.90968  Sterimol/B3: 4.02398
  Sterimol/B4: 7.35722  Sterimol/L: 14.0165 
 
 Surface and Volume Properties
  Accessible surface: 537.255  Positive charged surface: 429.162  Negative charged surface: 108.093  Volume: 286
  Hydrophobic surface: 436.576  Hydrophilic surface: 100.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02257792
NCID-ZINC01605590