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NCID-ZINC04792496

 MMsINC code: MMs02406821
Type: Neutral
Formula: C24H51OP
SMILES:   P(=O)(CC(CCCC)CC)(CC(CCCC)CC)CC(CCCC)CC
InChI:   InChI=1/C24H51OP/c1-7-13-16-22(10-4)19-26(25,20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3/t22-,23-,24+/m1/s1

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Potential Energy
Epot(MMFF94)=52.7209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.645 g/mol  logS: -7.47715  SlogP: 7.9285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.352636  Sterimol/B1: 2.42495  Sterimol/B2: 4.96232  Sterimol/B3: 7.07651
  Sterimol/B4: 11.3766  Sterimol/L: 16.6836 
 
 Surface and Volume Properties
  Accessible surface: 794.767  Positive charged surface: 608.577  Negative charged surface: 186.191  Volume: 463.5
  Hydrophobic surface: 657.734  Hydrophilic surface: 137.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.