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PUBCHEM-ZINC03651617

 MMsINC code: MMs03034205
Type: Ionized
Formula: C10H18NO3+
SMILES:   O(C(=O)CC(=O)C1[NH2+]CCCC1)CC
InChI:   InChI=1/C10H17NO3/c1-2-14-10(13)7-9(12)8-5-3-4-6-11-8/h8,11H,2-7H2,1H3/p+1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.348542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.258 g/mol  logS: -1.03589  SlogP: -0.3754  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0978569  Sterimol/B1: 2.85467  Sterimol/B2: 3.42957  Sterimol/B3: 3.76101
  Sterimol/B4: 4.79991  Sterimol/L: 14.0245 
 
 Surface and Volume Properties
  Accessible surface: 439.228  Positive charged surface: 333.665  Negative charged surface: 105.563  Volume: 204.75
  Hydrophobic surface: 312.341  Hydrophilic surface: 126.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs03034204
PUBCHEM-ZINC03651617