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IBS-ZINC02422608

 MMsINC code: MMs01858971
Type: Neutral
Formula: C14H20NO3P
SMILES:   P(O)(=O)(CN(C(=O)C)CC)C1Cc2c(C1)cccc2
InChI:   InChI=1/C14H20NO3P/c1-3-15(11(2)16)10-19(17,18)14-8-12-6-4-5-7-13(12)9-14/h4-7,14H,3,8-10H2,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=54.3478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.292 g/mol  logS: -1.13153  SlogP: 1.17984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0493393  Sterimol/B1: 2.21704  Sterimol/B2: 3.38058  Sterimol/B3: 3.38228
  Sterimol/B4: 6.03866  Sterimol/L: 15.7153 
 
 Surface and Volume Properties
  Accessible surface: 506.567  Positive charged surface: 309.706  Negative charged surface: 196.861  Volume: 270.5
  Hydrophobic surface: 401.844  Hydrophilic surface: 104.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01858972
IBS-ZINC02422608