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CHEMDIV-ZINC03625988

 MMsINC code: MMs00911910
Type: Neutral
Formula: C16H27N3O3
SMILES:   O=C(NC1CCCC1)C1(NC(=O)CNC(=O)C)CCCCC1
InChI:   InChI=1/C16H27N3O3/c1-12(20)17-11-14(21)19-16(9-5-2-6-10-16)15(22)18-13-7-3-4-8-13/h13H,2-11H2,1H3,(H,17,20)(H,18,22)(H,19,21)

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Potential Energy
Epot(MMFF94)=57.9758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.41 g/mol  logS: -2.54267  SlogP: 1.0004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128469  Sterimol/B1: 2.1126  Sterimol/B2: 3.30857  Sterimol/B3: 3.75443
  Sterimol/B4: 10.5319  Sterimol/L: 13.9552 
 
 Surface and Volume Properties
  Accessible surface: 579.63  Positive charged surface: 422.906  Negative charged surface: 156.724  Volume: 309.25
  Hydrophobic surface: 476.046  Hydrophilic surface: 103.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.