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ASINEX-ZINC05027217

 MMsINC code: MMs00438633
Type: Neutral
Formula: C19H34N4O5
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C(=O)N)C
InChI:   InChI=1/C19H34N4O5/c1-11(2)10-13(16(25)21-12(3)15(20)24)22-17(26)14-8-7-9-23(14)18(27)28-19(4,5)6/h11-14H,7-10H2,1-6H3,(H2,20,24)(H,21,25)(H,22,26)/t12-,13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=91.4393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.504 g/mol  logS: -3.77828  SlogP: 0.9068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0570732  Sterimol/B1: 2.19863  Sterimol/B2: 2.90461  Sterimol/B3: 4.11263
  Sterimol/B4: 9.65161  Sterimol/L: 18.5382 
 
 Surface and Volume Properties
  Accessible surface: 681.174  Positive charged surface: 492.617  Negative charged surface: 188.558  Volume: 394.5
  Hydrophobic surface: 425.523  Hydrophilic surface: 255.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.