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NCID-ZINC04352997

 MMsINC code: MMs02383462
Type: Neutral
Formula: C10H18O2
SMILES:   O=C(\C=C(/O)\CCCCC)CC
InChI:   InChI=1/C10H18O2/c1-3-5-6-7-10(12)8-9(11)4-2/h8,12H,3-7H2,1-2H3/b10-8-

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Potential Energy
Epot(MMFF94)=9.82975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.252 g/mol  logS: -2.06571  SlogP: 2.9877  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0484548  Sterimol/B1: 2.66538  Sterimol/B2: 2.94629  Sterimol/B3: 3.27951
  Sterimol/B4: 4.43743  Sterimol/L: 15.0382 
 
 Surface and Volume Properties
  Accessible surface: 430.475  Positive charged surface: 306.086  Negative charged surface: 124.39  Volume: 192.875
  Hydrophobic surface: 325.161  Hydrophilic surface: 105.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02383464
NCID-ZINC04352997


MMs02383465
NCID-ZINC04352997


MMs02383466
NCID-ZINC04352997


MMs02383463
NCID-ZINC04352997