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PUBCHEM-ZINC05816962

 MMsINC code: MMs03396091
Type: Neutral
Formula: C15H26N2O2
SMILES:   OC(=O)CCCC1NCC2C3N(CCCC13)CCC2
InChI:   InChI=1/C15H26N2O2/c18-14(19)7-1-6-13-12-5-3-9-17-8-2-4-11(10-16-13)15(12)17/h11-13,15-16H,1-10H2,(H,18,19)/t11-,12+,13+,15+/m1/s1

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Potential Energy
Epot(MMFF94)=32.4309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -0.94293  SlogP: 1.7037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647793  Sterimol/B1: 3.15745  Sterimol/B2: 3.16308  Sterimol/B3: 3.44098
  Sterimol/B4: 6.50101  Sterimol/L: 15.5261 
 
 Surface and Volume Properties
  Accessible surface: 495.052  Positive charged surface: 401.303  Negative charged surface: 93.7487  Volume: 270.75
  Hydrophobic surface: 376.949  Hydrophilic surface: 118.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03396092
PUBCHEM-ZINC05816962