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CHEMBLOCK-ZINC00062087

 MMsINC code: MMs00492379
Type: Neutral
Formula: C10H19NO
SMILES:   O=C1CN(CCC1C)C(C)(C)C
InChI:   InChI=1/C10H19NO/c1-8-5-6-11(7-9(8)12)10(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=46.1495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.23571  SlogP: 1.6958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164988  Sterimol/B1: 3.11847  Sterimol/B2: 3.58161  Sterimol/B3: 3.73283
  Sterimol/B4: 3.85881  Sterimol/L: 10.9586 
 
 Surface and Volume Properties
  Accessible surface: 375.62  Positive charged surface: 270.622  Negative charged surface: 104.998  Volume: 188.875
  Hydrophobic surface: 268.775  Hydrophilic surface: 106.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00492380
CHEMBLOCK-ZINC00062087