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IBS-ZINC02376073

 MMsINC code: MMs01847104
Type: Neutral
Formula: C18H24NO3P
SMILES:   P(OCCC)(=O)(C(O)c1ccccc1)c1ccc(N(C)C)cc1
InChI:   InChI=1/C18H24NO3P/c1-4-14-22-23(21,18(20)15-8-6-5-7-9-15)17-12-10-16(11-13-17)19(2)3/h5-13,18,20H,4,14H2,1-3H3/t18-,23-/m1/s1

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Potential Energy
Epot(MMFF94)=98.1678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.368 g/mol  logS: -3.08316  SlogP: 2.799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828276  Sterimol/B1: 2.7991  Sterimol/B2: 3.30174  Sterimol/B3: 4.18517
  Sterimol/B4: 9.62767  Sterimol/L: 15.4902 
 
 Surface and Volume Properties
  Accessible surface: 603.261  Positive charged surface: 422.755  Negative charged surface: 180.506  Volume: 334
  Hydrophobic surface: 526.934  Hydrophilic surface: 76.327
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.