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NCID-ZINC01692299

 MMsINC code: MMs02324066
Type: Neutral
Formula: C12H18Cl2N4O3
SMILES:   ClCCN(CCCl)C(=O)NC=1C(=O)N(C)C(=O)N(C)C=1C
InChI:   InChI=1/C12H18Cl2N4O3/c1-8-9(10(19)17(3)12(21)16(8)2)15-11(20)18(6-4-13)7-5-14/h4-7H2,1-3H3,(H,15,20)

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Potential Energy
Epot(MMFF94)=37.191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.207 g/mol  logS: -2.01114  SlogP: 1.2309  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0719812  Sterimol/B1: 3.0755  Sterimol/B2: 3.16942  Sterimol/B3: 3.9309
  Sterimol/B4: 7.49635  Sterimol/L: 13.8301 
 
 Surface and Volume Properties
  Accessible surface: 548.757  Positive charged surface: 324.811  Negative charged surface: 223.946  Volume: 290.375
  Hydrophobic surface: 317.961  Hydrophilic surface: 230.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.