MMsINC Database Search


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MMsINC code: MMs02382824

Type: Neutral
Formula: C₃₂H₂₆O₂

SMILES:

OC(c1ccccc1C(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C32H26O2/c33-31(25-15-5-1-6-16-25,26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(34,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24,33-34H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=292.984 kcal/mol

Physical Properties
Molecular Weight: 442.558 g/mol	logS: -7.99852	SlogP: 6.878	Reactive groups: 0

Topological Properties
Globularity: 0.417637	Sterimol/B1: 5.24195	Sterimol/B2: 5.26079	Sterimol/B3: 6.57469
Sterimol/B4: 7.04781	Sterimol/L: 16.3333

Surface and Volume Properties
Accessible surface: 659.7	Positive charged surface: 374.79	Negative charged surface: 284.91	Volume: 440.375
Hydrophobic surface: 657.347	Hydrophilic surface: 2.3530000000001

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.