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NCID-ZINC01669008

 MMsINC code: MMs02305139
Type: Ionized
Formula: C14H26NO3+
SMILES:   O(C(=O)C(O)C1CCCCC1)C1CC[NH+](CC1)C
InChI:   InChI=1/C14H25NO3/c1-15-9-7-12(8-10-15)18-14(17)13(16)11-5-3-2-4-6-11/h11-13,16H,2-10H2,1H3/p+1/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=23.674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.366 g/mol  logS: -2.39642  SlogP: 0.1479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0782354  Sterimol/B1: 3.0752  Sterimol/B2: 3.32074  Sterimol/B3: 3.64915
  Sterimol/B4: 5.77138  Sterimol/L: 15.1729 
 
 Surface and Volume Properties
  Accessible surface: 510.397  Positive charged surface: 431.594  Negative charged surface: 78.8026  Volume: 269.125
  Hydrophobic surface: 394.507  Hydrophilic surface: 115.89
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs02305138
NCID-ZINC01669008