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OTAVA-ZINC04656740

 MMsINC code: MMs02585019
Type: Neutral
Formula: C19H34N2O4
SMILES:   O1CCCC1CNC(=O)CCCCCCCC(=O)NCC1OCCC1
InChI:   InChI=1/C19H34N2O4/c22-18(20-14-16-8-6-12-24-16)10-4-2-1-3-5-11-19(23)21-15-17-9-7-13-25-17/h16-17H,1-15H2,(H,20,22)(H,21,23)/t16-,17-/m1/s1

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Potential Energy
Epot(MMFF94)=37.9366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.491 g/mol  logS: -3.03876  SlogP: 2.3075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0129116  Sterimol/B1: 2.95784  Sterimol/B2: 3.43047  Sterimol/B3: 3.5737
  Sterimol/B4: 3.86826  Sterimol/L: 26.5514 
 
 Surface and Volume Properties
  Accessible surface: 741.986  Positive charged surface: 615.468  Negative charged surface: 126.518  Volume: 368.625
  Hydrophobic surface: 624.995  Hydrophilic surface: 116.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.