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ACROSORGANICS-ZINC04283938

 MMsINC code: MMs00017954
Type: Ionized
Formula: C9H16NO4-
SMILES:   O(CCC)CCNC(=O)CCC(=O)[O-]
InChI:   InChI=1/C9H17NO4/c1-2-6-14-7-5-10-8(11)3-4-9(12)13/h2-7H2,1H3,(H,10,11)(H,12,13)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.62946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.23 g/mol  logS: -0.45486  SlogP: -0.9407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527705  Sterimol/B1: 2.75959  Sterimol/B2: 2.90818  Sterimol/B3: 3.32895
  Sterimol/B4: 5.58082  Sterimol/L: 15.5765 
 
 Surface and Volume Properties
  Accessible surface: 460.842  Positive charged surface: 328.119  Negative charged surface: 132.722  Volume: 198.25
  Hydrophobic surface: 288.8  Hydrophilic surface: 172.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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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Parent related molecule:


MMs00017953
ACROSORGANICS-ZINC04283938