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ENAMINE-ZINC03279624

 MMsINC code: MMs01347220
Type: Neutral
Formula: C10H12Cl2N2O2
SMILES:   Clc1cc(cnc1Cl)C(=O)NC(COC)C
InChI:   InChI=1/C10H12Cl2N2O2/c1-6(5-16-2)14-10(15)7-3-8(11)9(12)13-4-7/h3-4,6H,5H2,1-2H3,(H,14,15)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=48.2565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.124 g/mol  logS: -2.52256  SlogP: 2.1531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525423  Sterimol/B1: 2.16284  Sterimol/B2: 2.26442  Sterimol/B3: 4.08985
  Sterimol/B4: 6.09138  Sterimol/L: 14.5288 
 
 Surface and Volume Properties
  Accessible surface: 468.795  Positive charged surface: 268.501  Negative charged surface: 200.295  Volume: 224.375
  Hydrophobic surface: 389.659  Hydrophilic surface: 79.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.