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NCID-ZINC01598089

 MMsINC code: MMs02251770
Type: Neutral
Formula: C5H11ClN2O
SMILES:   ClCCNC(=O)C(N)C
InChI:   InChI=1/C5H11ClN2O/c1-4(7)5(9)8-3-2-6/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=25.8742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.609 g/mol  logS: -0.54696  SlogP: -0.3114  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0802251  Sterimol/B1: 2.21149  Sterimol/B2: 2.53449  Sterimol/B3: 3.40524
  Sterimol/B4: 4.73666  Sterimol/L: 11.7726 
 
 Surface and Volume Properties
  Accessible surface: 341.304  Positive charged surface: 210.706  Negative charged surface: 130.598  Volume: 141.5
  Hydrophobic surface: 150.754  Hydrophilic surface: 190.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02251771
NCID-ZINC01598089