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NCID-ZINC04934010

 MMsINC code: MMs02416893
Type: Neutral
Formula: C15H24OP+
SMILES:   [P+]1(CCC(O)(CC1)CC)(Cc1ccccc1)C
InChI:   InChI=1/C15H24OP/c1-3-15(16)9-11-17(2,12-10-15)13-14-7-5-4-6-8-14/h4-8,16H,3,9-13H2,1-2H3/q+1/t15-,17+

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Potential Energy
Epot(MMFF94)=53.7424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.33 g/mol  logS: -1.76808  SlogP: 4.0353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112433  Sterimol/B1: 3.49699  Sterimol/B2: 3.68085  Sterimol/B3: 4.04433
  Sterimol/B4: 4.53606  Sterimol/L: 14.9781 
 
 Surface and Volume Properties
  Accessible surface: 480.845  Positive charged surface: 329.159  Negative charged surface: 151.686  Volume: 272.125
  Hydrophobic surface: 417.854  Hydrophilic surface: 62.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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.