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PUBCHEM-ZINC06754512

 MMsINC code: MMs03851047
Type: Neutral
Formula: C20H35NO5
SMILES:   O1C(=CC(CC1OCCOCCO)C(C)C)C(=O)N(C)C1CCCCC1
InChI:   InChI=1/C20H35NO5/c1-15(2)16-13-18(20(23)21(3)17-7-5-4-6-8-17)26-19(14-16)25-12-11-24-10-9-22/h13,15-17,19,22H,4-12,14H2,1-3H3/t16-,19+/m1/s1

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Potential Energy
Epot(MMFF94)=86.7559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.502 g/mol  logS: -3.46215  SlogP: 2.7055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121615  Sterimol/B1: 3.26918  Sterimol/B2: 3.70277  Sterimol/B3: 4.73796
  Sterimol/B4: 11.3734  Sterimol/L: 15.634 
 
 Surface and Volume Properties
  Accessible surface: 687.276  Positive charged surface: 555.514  Negative charged surface: 131.762  Volume: 377.75
  Hydrophobic surface: 549.692  Hydrophilic surface: 137.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: no related molecules available.