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ASINEX-ZINC04611117

 MMsINC code: MMs00355858
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-/m0/s1

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Potential Energy
Epot(MMFF94)=53.9762 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: 0.0197956  Sterimol/B1: 2.90493  Sterimol/B2: 3.40677  Sterimol/B3: 3.80755
  Sterimol/B4: 4.26029  Sterimol/L: 23.2218 
 
 Surface and Volume Properties
  Accessible surface: 640.682  Positive charged surface: 547.367  Negative charged surface: 93.3152  Volume: 320.5
  Hydrophobic surface: 541.944  Hydrophilic surface: 98.738
 
 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


MMs00355859
ASINEX-ZINC04611117