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PUBCHEM-ZINC05458211

 MMsINC code: MMs03275687
Type: Neutral
Formula: C15H32N3O2PS
SMILES:   S=P(NC1CCC(CC1)CCC(OCC)=O)(N(C)C)N(C)C
InChI:   InChI=1/C15H32N3O2PS/c1-6-20-15(19)12-9-13-7-10-14(11-8-13)16-21(22,17(2)3)18(4)5/h13-14H,6-12H2,1-5H3,(H,16,22)/t13-,14-

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Potential Energy
Epot(MMFF94)=9.09654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.48 g/mol  logS: -1.76334  SlogP: 2.8258  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0462787  Sterimol/B1: 2.9526  Sterimol/B2: 3.34009  Sterimol/B3: 4.80291
  Sterimol/B4: 6.25426  Sterimol/L: 19.6216 
 
 Surface and Volume Properties
  Accessible surface: 625.581  Positive charged surface: 509.044  Negative charged surface: 116.537  Volume: 349.625
  Hydrophobic surface: 514.896  Hydrophilic surface: 110.685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules: no related molecules available.