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NCID-ZINC01564119

 MMsINC code: MMs02225842
Type: Neutral
Formula: C10H23NO4P+
SMILES:   P(OC1CCCC1)(OCC[N+](C)(C)C)(O)=O
InChI:   InChI=1/C10H22NO4P/c1-11(2,3)8-9-14-16(12,13)15-10-6-4-5-7-10/h10H,4-9H2,1-3H3/p+1

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Potential Energy
Epot(MMFF94)=12.5509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.271 g/mol  logS: -0.24419  SlogP: 0.6986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0840492  Sterimol/B1: 2.53663  Sterimol/B2: 3.11865  Sterimol/B3: 4.70595
  Sterimol/B4: 5.17799  Sterimol/L: 14.6207 
 
 Surface and Volume Properties
  Accessible surface: 491.647  Positive charged surface: 407.645  Negative charged surface: 84.0023  Volume: 243.375
  Hydrophobic surface: 362.678  Hydrophilic surface: 128.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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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Ions/Tautomers related molecules


MMs02225843
NCID-ZINC01564119