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PUBCHEM-ZINC06031163

 MMsINC code: MMs03503695
Type: Neutral
Formula: C25H38O2
SMILES:   OC(=O)C=1C23C(CCC2(C2CC4(C(CC=12)C(CC4)C(C)C)C)C)C(CC3)C
InChI:   InChI=1/C25H38O2/c1-14(2)16-7-9-23(4)13-20-17(12-19(16)23)21(22(26)27)25-11-6-15(3)18(25)8-10-24(20,25)5/h14-16,18-20H,6-13H2,1-5H3,(H,26,27)/t15-,16+,18+,19+,20+,23-,24+,25-/m1/s1

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Potential Energy
Epot(MMFF94)=162.744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.577 g/mol  logS: -10.0393  SlogP: 6.3123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184509  Sterimol/B1: 2.46965  Sterimol/B2: 3.25659  Sterimol/B3: 6.14551
  Sterimol/B4: 6.7082  Sterimol/L: 14.5042 
 
 Surface and Volume Properties
  Accessible surface: 585.715  Positive charged surface: 426.856  Negative charged surface: 158.86  Volume: 392.75
  Hydrophobic surface: 432.029  Hydrophilic surface: 153.686
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03503696
PUBCHEM-ZINC06031163