MMsINC Database Search


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MMsINC code: MMs02516842

Type: Neutral
Formula: C₃₂H₂₄O₄

SMILES:

O1CCOc2c(C#Cc3c(OCCOc4c(C#Cc5c1cccc5)cccc4)cccc3)cccc2

InChI:

InChI=1/C32H24O4/c1-5-13-29-25(9-1)17-18-26-10-2-6-14-30(26)35-23-24-36-32-16-8-4-12-28(32)20-19-27-11-3-7-15-31(27)34-22-21-33-29/h1-16H,21-24H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.727 kcal/mol

Physical Properties
Molecular Weight: 472.54 g/mol	logS: -8.86898	SlogP: 5.71522	Reactive groups: 0

Topological Properties
Globularity: 0.0376087	Sterimol/B1: 2.13402	Sterimol/B2: 3.52216	Sterimol/B3: 4.14153
Sterimol/B4: 10.6863	Sterimol/L: 16.0285

Surface and Volume Properties
Accessible surface: 782.046	Positive charged surface: 456.793	Negative charged surface: 325.253	Volume: 473.875
Hydrophobic surface: 769.811	Hydrophilic surface: 12.235

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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: no related molecules available.