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PUBCHEM-ZINC04614604

 MMsINC code: MMs03141740
Type: Ionized
Formula: C15H24NO3-
SMILES:   O=C(NC1CCCCC1C)C1CCCCC1C(=O)[O-]
InChI:   InChI=1/C15H25NO3/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(18)19/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)/p-1/t10-,11-,12+,13+/m1/s1

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Potential Energy
Epot(MMFF94)=0.016252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.361 g/mol  logS: -2.78809  SlogP: 1.2376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184254  Sterimol/B1: 2.28729  Sterimol/B2: 3.82202  Sterimol/B3: 4.49347
  Sterimol/B4: 6.57408  Sterimol/L: 12.2302 
 
 Surface and Volume Properties
  Accessible surface: 471.422  Positive charged surface: 345.168  Negative charged surface: 126.254  Volume: 270.125
  Hydrophobic surface: 380.93  Hydrophilic surface: 90.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 4
 
 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:


MMs03141739
PUBCHEM-ZINC04614604