MMsINC Database Search


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MMsINC code: MMs03923182

Type: Neutral
Formula: C₃₂H₂₂O₂

SMILES:

Oc1c(c2c(cc1-c1ccccc1)cccc2)-c1c2c(cc(-c3ccccc3)c1O)cccc2

InChI:

InChI=1/C32H22O2/c33-31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)34)22-13-5-2-6-14-22/h1-20,33-34H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.335 kcal/mol

Physical Properties
Molecular Weight: 438.526 g/mol	logS: -11.6959	SlogP: 8.4052	Reactive groups: 0

Topological Properties
Globularity: 0.266175	Sterimol/B1: 3.03718	Sterimol/B2: 4.67391	Sterimol/B3: 6.94166
Sterimol/B4: 8.18645	Sterimol/L: 17.3356

Surface and Volume Properties
Accessible surface: 722.587	Positive charged surface: 376.887	Negative charged surface: 326.689	Volume: 439.5
Hydrophobic surface: 674.367	Hydrophilic surface: 48.22

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.