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CHEMBLOCK-ZINC00109525

 MMsINC code: MMs00499132
Type: Neutral
Formula: C16H28N4O3
SMILES:   O1CCN(CC1)C(=O)N1CCC(N2CCCCC2)(CC1)C(=O)N
InChI:   InChI=1/C16H28N4O3/c17-14(21)16(20-6-2-1-3-7-20)4-8-18(9-5-16)15(22)19-10-12-23-13-11-19/h1-13H2,(H2,17,21)

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Potential Energy
Epot(MMFF94)=116.991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.425 g/mol  logS: -1.16681  SlogP: 0.2444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0925901  Sterimol/B1: 3.26275  Sterimol/B2: 3.77865  Sterimol/B3: 4.47123
  Sterimol/B4: 4.88018  Sterimol/L: 16.3608 
 
 Surface and Volume Properties
  Accessible surface: 542.828  Positive charged surface: 447.068  Negative charged surface: 95.7601  Volume: 308.75
  Hydrophobic surface: 434.863  Hydrophilic surface: 107.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00499133
CHEMBLOCK-ZINC00109525