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PUBCHEM-ZINC05962666

 MMsINC code: MMs03462922
Type: Neutral
Formula: C19H37N3O4
SMILES:   OC1(CC(N(C1)CC(C)C)C(=O)NC(C)(C)C)CNC(OC(C)(C)C)=O
InChI:   InChI=1/C19H37N3O4/c1-13(2)10-22-12-19(25,11-20-16(24)26-18(6,7)8)9-14(22)15(23)21-17(3,4)5/h13-14,25H,9-12H2,1-8H3,(H,20,24)(H,21,23)/t14-,19+/m0/s1

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Potential Energy
Epot(MMFF94)=85.9703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.522 g/mol  logS: -2.75247  SlogP: 1.8872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640517  Sterimol/B1: 2.33632  Sterimol/B2: 2.65915  Sterimol/B3: 4.246
  Sterimol/B4: 10.2201  Sterimol/L: 18.489 
 
 Surface and Volume Properties
  Accessible surface: 694.845  Positive charged surface: 513.653  Negative charged surface: 181.191  Volume: 387
  Hydrophobic surface: 469.294  Hydrophilic surface: 225.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03462923
PUBCHEM-ZINC05962666