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NCID-ZINC05734835

 MMsINC code: MMs02492713
Type: Neutral
Formula: C10H19NO2
SMILES:   O(C(=O)CCC1NCCCC1)CC
InChI:   InChI=1/C10H19NO2/c1-2-13-10(12)7-6-9-5-3-4-8-11-9/h9,11H,2-8H2,1H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=3.12562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -0.9307  SlogP: 1.4718  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0421275  Sterimol/B1: 2.75877  Sterimol/B2: 3.11666  Sterimol/B3: 3.37224
  Sterimol/B4: 4.29481  Sterimol/L: 14.8867 
 
 Surface and Volume Properties
  Accessible surface: 429.596  Positive charged surface: 343.167  Negative charged surface: 86.4294  Volume: 200.25
  Hydrophobic surface: 349.517  Hydrophilic surface: 80.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02492714
NCID-ZINC05734835