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ENAMINE-ZINC03230531

 MMsINC code: MMs01318784
Type: Neutral
Formula: C11H20N3OP
SMILES:   P(=O)(Nc1ccccc1)(N(C)C)CN(C)C
InChI:   InChI=1/C11H20N3OP/c1-13(2)10-16(15,14(3)4)12-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,12,15)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=64.8709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.275 g/mol  logS: 0.00033  SlogP: 1.3021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154732  Sterimol/B1: 2.07223  Sterimol/B2: 3.27513  Sterimol/B3: 5.16507
  Sterimol/B4: 5.52114  Sterimol/L: 13.8533 
 
 Surface and Volume Properties
  Accessible surface: 457.488  Positive charged surface: 361.653  Negative charged surface: 95.8346  Volume: 245.625
  Hydrophobic surface: 426.116  Hydrophilic surface: 31.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.