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ACROSORGANICS-ZINC00266396

 MMsINC code: MMs00006594
Type: Neutral
Formula: C11H21N3O
SMILES:   O=C(N)C1(N2CCCCC2)CCNCC1
InChI:   InChI=1/C11H21N3O/c12-10(15)11(4-6-13-7-5-11)14-8-2-1-3-9-14/h13H,1-9H2,(H2,12,15)

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Potential Energy
Epot(MMFF94)=43.779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.309 g/mol  logS: -0.84046  SlogP: 0.0798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251552  Sterimol/B1: 3.262  Sterimol/B2: 3.60062  Sterimol/B3: 3.93849
  Sterimol/B4: 5.28324  Sterimol/L: 11.2484 
 
 Surface and Volume Properties
  Accessible surface: 401.022  Positive charged surface: 333.528  Negative charged surface: 67.4946  Volume: 213.375
  Hydrophobic surface: 302.707  Hydrophilic surface: 98.315
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00006595
ACROSORGANICS-ZINC00266396