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PUBCHEM-ZINC02187451

 MMsINC code: MMs02883380
Type: Ionized
Formula: C14H26N3O3+
SMILES:   O=C1N(CCC1)CC(=O)N1CC[NH+](CC1)CCOCC
InChI:   InChI=1/C14H25N3O3/c1-2-20-11-10-15-6-8-16(9-7-15)14(19)12-17-5-3-4-13(17)18/h2-12H2,1H3/p+1

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=60.6993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.38 g/mol  logS: -0.44842  SlogP: -1.6276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0648394  Sterimol/B1: 2.0364  Sterimol/B2: 3.59995  Sterimol/B3: 3.77641
  Sterimol/B4: 6.44891  Sterimol/L: 16.8702 
 
 Surface and Volume Properties
  Accessible surface: 562.268  Positive charged surface: 468.285  Negative charged surface: 93.9832  Volume: 291.875
  Hydrophobic surface: 447.081  Hydrophilic surface: 115.187
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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:


MMs02883379
PUBCHEM-ZINC02187451