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NCID-ZINC05004436

 MMsINC code: MMs02426659
Type: Neutral
Formula: C18H35N3OP+
SMILES:   [P+](Oc1ccccc1)(N(CC)CC)(N(CC)CC)N(CC)CC
InChI:   InChI=1/C18H35N3OP/c1-7-19(8-2)23(20(9-3)10-4,21(11-5)12-6)22-18-16-14-13-15-17-18/h13-17H,7-12H2,1-6H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.4554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.472 g/mol  logS: -2.35987  SlogP: 4.7684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.535176  Sterimol/B1: 2.01329  Sterimol/B2: 3.61025  Sterimol/B3: 7.27799
  Sterimol/B4: 8.55441  Sterimol/L: 13.308 
 
 Surface and Volume Properties
  Accessible surface: 551.491  Positive charged surface: 375.765  Negative charged surface: 175.725  Volume: 362
  Hydrophobic surface: 433.808  Hydrophilic surface: 117.683
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.