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NCID-ZINC05721705

 MMsINC code: MMs02488824
Type: Neutral
Formula: C22H39N2P3
SMILES:   P(CCP(N(CC)CC)C=C)(CCP(N(CC)CC)C=C)c1ccccc1
InChI:   InChI=1/C22H39N2P3/c1-7-23(8-2)26(11-5)20-18-25(22-16-14-13-15-17-22)19-21-27(12-6)24(9-3)10-4/h11-17H,5-10,18-21H2,1-4H3

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Potential Energy
Epot(MMFF94)=93.6539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.49 g/mol  logS: -1.77854  SlogP: 6.5582  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.10067  Sterimol/B1: 3.24714  Sterimol/B2: 6.51527  Sterimol/B3: 6.64318
  Sterimol/B4: 6.68544  Sterimol/L: 18.8953 
 
 Surface and Volume Properties
  Accessible surface: 784.57  Positive charged surface: 516.867  Negative charged surface: 267.703  Volume: 458.875
  Hydrophobic surface: 617.888  Hydrophilic surface: 166.682
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.