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NCID-ZINC05841875

 MMsINC code: MMs02505791
Type: Neutral
Formula: C17H32N4O4
SMILES:   OC(=O)CN1CCN2CCCCCN(CC1)CCN(CC2)CC(O)=O
InChI:   InChI=1/C17H32N4O4/c22-16(23)14-20-10-6-18-4-2-1-3-5-19(8-12-20)9-13-21(11-7-18)15-17(24)25/h1-15H2,(H,22,23)(H,24,25)

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Potential Energy
Epot(MMFF94)=419.348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.467 g/mol  logS: -0.07677  SlogP: -0.4389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.4085  Sterimol/B1: 2.29217  Sterimol/B2: 3.97272  Sterimol/B3: 5.98928
  Sterimol/B4: 7.4688  Sterimol/L: 14.4875 
 
 Surface and Volume Properties
  Accessible surface: 522.176  Positive charged surface: 401.413  Negative charged surface: 120.763  Volume: 332.75
  Hydrophobic surface: 323.523  Hydrophilic surface: 198.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  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


MMs02505792
NCID-ZINC05841875