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NCID-ZINC01571702

 MMsINC code: MMs02231703
Type: Neutral
Formula: C18H27O2P
SMILES:   P(OC1CCCCC1)(OC1CCCCC1)c1ccccc1
InChI:   InChI=1/C18H27O2P/c1-4-10-16(11-5-1)19-21(18-14-8-3-9-15-18)20-17-12-6-2-7-13-17/h3,8-9,14-17H,1-2,4-7,10-13H2

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Potential Energy
Epot(MMFF94)=38.3342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.386 g/mol  logS: -4.527  SlogP: 5.3224  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117829  Sterimol/B1: 2.34298  Sterimol/B2: 3.363  Sterimol/B3: 3.90278
  Sterimol/B4: 9.73712  Sterimol/L: 14.2951 
 
 Surface and Volume Properties
  Accessible surface: 581.859  Positive charged surface: 433.826  Negative charged surface: 148.033  Volume: 321.625
  Hydrophobic surface: 581.673  Hydrophilic surface: 0.18600000000004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.