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ASINEX-ZINC04611118

 MMsINC code: MMs00355860
Type: Neutral
Formula: C16H31NO4
SMILES:   O1CCN(CC1)CC(O)CCCCCCCCC(OC)=O
InChI:   InChI=1/C16H31NO4/c1-20-16(19)9-7-5-3-2-4-6-8-15(18)14-17-10-12-21-13-11-17/h15,18H,2-14H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=52.4608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.427 g/mol  logS: -2.53365  SlogP: 1.9733  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0202024  Sterimol/B1: 2.99066  Sterimol/B2: 3.40139  Sterimol/B3: 3.7134
  Sterimol/B4: 4.20104  Sterimol/L: 23.1904 
 
 Surface and Volume Properties
  Accessible surface: 641.792  Positive charged surface: 549.496  Negative charged surface: 92.2957  Volume: 320.875
  Hydrophobic surface: 545.862  Hydrophilic surface: 95.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00355861
ASINEX-ZINC04611118