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NCID-ZINC05217439

 MMsINC code: MMs02449824
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N1CCCCC1C)CCC
InChI:   InChI=1/C10H19NO/c1-3-6-10(12)11-8-5-4-7-9(11)2/h9H,3-8H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=34.3409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.46283  SlogP: 2.1875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0894038  Sterimol/B1: 2.79115  Sterimol/B2: 3.43346  Sterimol/B3: 3.99807
  Sterimol/B4: 4.88928  Sterimol/L: 12.0036 
 
 Surface and Volume Properties
  Accessible surface: 391.207  Positive charged surface: 312.098  Negative charged surface: 79.1084  Volume: 189.875
  Hydrophobic surface: 333.291  Hydrophilic surface: 57.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.