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NCID-ZINC04945979

 MMsINC code: MMs02417678
Type: Neutral
Formula: C17H31ClN4O2
SMILES:   ClC(CNC(=O)NC1CCCCC1)CNC(=O)NC1CCCCC1
InChI:   InChI=1/C17H31ClN4O2/c18-13(11-19-16(23)21-14-7-3-1-4-8-14)12-20-17(24)22-15-9-5-2-6-10-15/h13-15H,1-12H2,(H2,19,21,23)(H2,20,22,24)

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Potential Energy
Epot(MMFF94)=-28.8019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.914 g/mol  logS: -3.32568  SlogP: 3.2775  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0180298  Sterimol/B1: 3.44757  Sterimol/B2: 3.50333  Sterimol/B3: 3.55977
  Sterimol/B4: 4.1046  Sterimol/L: 22.7722 
 
 Surface and Volume Properties
  Accessible surface: 676.453  Positive charged surface: 503.042  Negative charged surface: 173.411  Volume: 353
  Hydrophobic surface: 503.128  Hydrophilic surface: 173.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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.