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CHEMBRIDGE-ZINC04833480

 MMsINC code: MMs00795638
Type: Neutral
Formula: C16H29N3O3
SMILES:   O1CCN(CC1)CCCNC(=O)CNC(=O)C1CCCCC1
InChI:   InChI=1/C16H29N3O3/c20-15(13-18-16(21)14-5-2-1-3-6-14)17-7-4-8-19-9-11-22-12-10-19/h14H,1-13H2,(H,17,20)(H,18,21)

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Potential Energy
Epot(MMFF94)=48.8857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.426 g/mol  logS: -2.18134  SlogP: 0.5214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255189  Sterimol/B1: 2.7328  Sterimol/B2: 3.14122  Sterimol/B3: 3.65317
  Sterimol/B4: 4.3299  Sterimol/L: 20.8214 
 
 Surface and Volume Properties
  Accessible surface: 609.465  Positive charged surface: 509.492  Negative charged surface: 99.973  Volume: 317.125
  Hydrophobic surface: 502.348  Hydrophilic surface: 107.117
 
 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


MMs00795639
CHEMBRIDGE-ZINC04833480