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ACROSORGANICS-ZINC01583775

 MMsINC code: MMs00009517
Type: Neutral
Formula: C10H24N2O4
SMILES:   OCCN(CCN(CCO)CCO)CCO
InChI:   InChI=1/C10H24N2O4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.2156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.312 g/mol  logS: 1.42384  SlogP: -2.4404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25558  Sterimol/B1: 3.58723  Sterimol/B2: 3.67517  Sterimol/B3: 4.67707
  Sterimol/B4: 4.80515  Sterimol/L: 12.4571 
 
 Surface and Volume Properties
  Accessible surface: 492.175  Positive charged surface: 442.231  Negative charged surface: 49.9443  Volume: 239.375
  Hydrophobic surface: 310.466  Hydrophilic surface: 181.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs00009518
ACROSORGANICS-ZINC01583775