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NCID-ZINC04975007

 MMsINC code: MMs02423072
Type: Neutral
Formula: C14H27N3O2
SMILES:   O\N=C\1/CCCCCCCCCN(C/C/1=N\O)CC
InChI:   InChI=1/C14H27N3O2/c1-2-17-11-9-7-5-3-4-6-8-10-13(15-18)14(12-17)16-19/h18-19H,2-12H2,1H3/b15-13-,16-14-

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Potential Energy
Epot(MMFF94)=4414.26 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.389 g/mol  logS: -2.80573  SlogP: 3.1031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153112  Sterimol/B1: 3.11033  Sterimol/B2: 4.00952  Sterimol/B3: 5.18947
  Sterimol/B4: 5.30072  Sterimol/L: 12.4958 
 
 Surface and Volume Properties
  Accessible surface: 471.509  Positive charged surface: 368.743  Negative charged surface: 102.766  Volume: 274.75
  Hydrophobic surface: 353.92  Hydrophilic surface: 117.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs02423073
NCID-ZINC04975007