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ALFAAESAR-ZINC02560534

 MMsINC code: MMs00023753
Type: Neutral
Formula: C12H21N2P
SMILES:   P(CCCN)(CCCN)c1ccccc1
InChI:   InChI=1/C12H21N2P/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,13-14H2

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Potential Energy
Epot(MMFF94)=22.6369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.288 g/mol  logS: -0.86186  SlogP: 1.4914  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0981932  Sterimol/B1: 2.52765  Sterimol/B2: 3.20976  Sterimol/B3: 3.89413
  Sterimol/B4: 8.00483  Sterimol/L: 14.4931 
 
 Surface and Volume Properties
  Accessible surface: 491.964  Positive charged surface: 371.999  Negative charged surface: 119.965  Volume: 245.75
  Hydrophobic surface: 344.65  Hydrophilic surface: 147.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00023754
ALFAAESAR-ZINC02560534