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PUBCHEM-ZINC05566581

 MMsINC code: MMs03308713
Type: Neutral
Formula: C11H20ClN2OP
SMILES:   ClCP(=O)(NC12CC3CC(C1)CC(C2)C3)N
InChI:   InChI=1/C11H20ClN2OP/c12-7-16(13,15)14-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2,(H3,13,14,15)/t8-,9+,10-,11-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=34.1819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.721 g/mol  logS: -2.18273  SlogP: 1.8227  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.274027  Sterimol/B1: 2.56549  Sterimol/B2: 3.99162  Sterimol/B3: 4.41966
  Sterimol/B4: 5.09303  Sterimol/L: 11.2312 
 
 Surface and Volume Properties
  Accessible surface: 420.931  Positive charged surface: 282.049  Negative charged surface: 138.882  Volume: 230.875
  Hydrophobic surface: 254.726  Hydrophilic surface: 166.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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: no related molecules available.