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PUBCHEM-ZINC06397981

 MMsINC code: MMs03706890
Type: Neutral
Formula: C7H15NO3
SMILES:   OC(C(N)CCCC)C(O)=O
InChI:   InChI=1/C7H15NO3/c1-2-3-4-5(8)6(9)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=25.9196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.201 g/mol  logS: -0.63462  SlogP: -0.0506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819201  Sterimol/B1: 2.55042  Sterimol/B2: 3.30852  Sterimol/B3: 3.30979
  Sterimol/B4: 4.04095  Sterimol/L: 12.3423 
 
 Surface and Volume Properties
  Accessible surface: 369.01  Positive charged surface: 266.881  Negative charged surface: 102.129  Volume: 161.125
  Hydrophobic surface: 173.424  Hydrophilic surface: 195.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.