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NCID-ZINC01628085

 MMsINC code: MMs02273907
Type: Neutral
Formula: C7H13NO4
SMILES:   OC(=O)CC(N)CCCC(O)=O
InChI:   InChI=1/C7H13NO4/c8-5(4-7(11)12)2-1-3-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-0.736383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.184 g/mol  logS: 0.55904  SlogP: 0.0433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0620821  Sterimol/B1: 2.54791  Sterimol/B2: 3.18847  Sterimol/B3: 3.19246
  Sterimol/B4: 3.27719  Sterimol/L: 14.0106 
 
 Surface and Volume Properties
  Accessible surface: 374.971  Positive charged surface: 253.254  Negative charged surface: 121.717  Volume: 160.625
  Hydrophobic surface: 138.603  Hydrophilic surface: 236.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs02273908
NCID-ZINC01628085