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NCID-ZINC01759492

 MMsINC code: MMs02366515
Type: Neutral
Formula: C19H21O2P
SMILES:   P1(=O)(Cc2ccccc2)C(c2ccccc2)=C(OC)CC1C
InChI:   InChI=1/C19H21O2P/c1-15-13-18(21-2)19(17-11-7-4-8-12-17)22(15,20)14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3/t15-,22-/m1/s1

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Potential Energy
Epot(MMFF94)=81.5567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.349 g/mol  logS: -3.65381  SlogP: 4.5533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25243  Sterimol/B1: 2.87708  Sterimol/B2: 2.88168  Sterimol/B3: 5.16762
  Sterimol/B4: 8.00616  Sterimol/L: 12.5411 
 
 Surface and Volume Properties
  Accessible surface: 530.414  Positive charged surface: 350.938  Negative charged surface: 179.476  Volume: 316.5
  Hydrophobic surface: 489.352  Hydrophilic surface: 41.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.