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ENAMINE-ZINC04949078

 MMsINC code: MMs01569308
Type: Neutral
Formula: C15H25OP
SMILES:   P(=O)(Cc1ccccc1)(C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C15H25OP/c1-14(2,3)17(16,15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3

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Potential Energy
Epot(MMFF94)=86.5425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.338 g/mol  logS: -2.83342  SlogP: 4.3429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208646  Sterimol/B1: 2.58648  Sterimol/B2: 2.80483  Sterimol/B3: 4.50455
  Sterimol/B4: 6.2239  Sterimol/L: 12.8242 
 
 Surface and Volume Properties
  Accessible surface: 455.64  Positive charged surface: 282.865  Negative charged surface: 172.775  Volume: 272.5
  Hydrophobic surface: 355.853  Hydrophilic surface: 99.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.