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NCID-ZINC05950438

 MMsINC code: MMs02512734
Type: Neutral
Formula: C19H34N4O6
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)N1CCCN(CC1)C(=O)CNC(OC(C)(C)C)=O
InChI:   InChI=1/C19H34N4O6/c1-18(2,3)28-16(26)20-12-14(24)22-8-7-9-23(11-10-22)15(25)13-21-17(27)29-19(4,5)6/h7-13H2,1-6H3,(H,20,26)(H,21,27)

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Potential Energy
Epot(MMFF94)=70.1218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.503 g/mol  logS: -2.53635  SlogP: 1.0967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104255  Sterimol/B1: 2.83153  Sterimol/B2: 3.611  Sterimol/B3: 3.94621
  Sterimol/B4: 11.1488  Sterimol/L: 16.0229 
 
 Surface and Volume Properties
  Accessible surface: 722.969  Positive charged surface: 526.566  Negative charged surface: 196.403  Volume: 401.25
  Hydrophobic surface: 461.717  Hydrophilic surface: 261.252
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.