MMsINC Database Search


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MMsINC code: MMs00283292

Type: Neutral
Formula: C₂₂H₂₂O₂

SMILES:

O(c1cc(C)c(cc1)C)c1ccc(Oc2cc(C)c(cc2)C)cc1

InChI:

InChI=1/C22H22O2/c1-15-5-7-21(13-17(15)3)23-19-9-11-20(12-10-19)24-22-8-6-16(2)18(4)14-22/h5-14H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.608 kcal/mol

Physical Properties
Molecular Weight: 318.416 g/mol	logS: -6.84598	SlogP: 6.50488	Reactive groups: 0

Topological Properties
Globularity: 0.0562869	Sterimol/B1: 2.79799	Sterimol/B2: 2.95717	Sterimol/B3: 4.62416
Sterimol/B4: 5.87396	Sterimol/L: 18.2849

Surface and Volume Properties
Accessible surface: 611.277	Positive charged surface: 366.766	Negative charged surface: 244.512	Volume: 333.125
Hydrophobic surface: 611.277	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.