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CHEMDIV-ZINC04688410

 MMsINC code: MMs00942655
Type: Neutral
Formula: C19H33N3O2
SMILES:   O=C1N(CC(C1)C(=O)NCCCN1CC(CCC1)C)C1CCCC1
InChI:   InChI=1/C19H33N3O2/c1-15-6-4-10-21(13-15)11-5-9-20-19(24)16-12-18(23)22(14-16)17-7-2-3-8-17/h15-17H,2-14H2,1H3,(H,20,24)/t15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=22.6733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.492 g/mol  logS: -1.62843  SlogP: 2.0157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541958  Sterimol/B1: 2.42393  Sterimol/B2: 4.25902  Sterimol/B3: 5.08157
  Sterimol/B4: 5.39709  Sterimol/L: 20.1485 
 
 Surface and Volume Properties
  Accessible surface: 651.241  Positive charged surface: 529.576  Negative charged surface: 121.665  Volume: 354.75
  Hydrophobic surface: 570.777  Hydrophilic surface: 80.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00942656
CHEMDIV-ZINC04688410