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NCID-ZINC05544349

 MMsINC code: MMs02473283
Type: Neutral
Formula: C23H38O4
SMILES:   OC=1C(CCCCC)(CCCCC)C(=O)C(CCCCC)=C(O)C=1C(=O)C
InChI:   InChI=1/C23H38O4/c1-5-8-11-14-18-20(25)19(17(4)24)22(27)23(21(18)26,15-12-9-6-2)16-13-10-7-3/h25,27H,5-16H2,1-4H3

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Potential Energy
Epot(MMFF94)=57.5656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.553 g/mol  logS: -7.26388  SlogP: 6.5096  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.258291  Sterimol/B1: 2.10575  Sterimol/B2: 3.25488  Sterimol/B3: 7.11772
  Sterimol/B4: 11.4723  Sterimol/L: 16.8919 
 
 Surface and Volume Properties
  Accessible surface: 723.376  Positive charged surface: 525.155  Negative charged surface: 198.221  Volume: 407
  Hydrophobic surface: 554.791  Hydrophilic surface: 168.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.