MMsINC Database Search


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MMsINC code: MMs02181955

Type: Neutral
Formula: C₂₂H₂₂O₂

SMILES:

O(C)c1ccc(cc1)-c1cc(C)c(cc1C)-c1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.787 kcal/mol

Physical Properties
Molecular Weight: 318.416 g/mol	logS: -7.28624	SlogP: 5.65464	Reactive groups: 0

Topological Properties
Globularity: 0.0326202	Sterimol/B1: 2.12767	Sterimol/B2: 2.25698	Sterimol/B3: 4.21114
Sterimol/B4: 6.6973	Sterimol/L: 20.4139

Surface and Volume Properties
Accessible surface: 596.787	Positive charged surface: 403.411	Negative charged surface: 186.51	Volume: 335.875
Hydrophobic surface: 575.369	Hydrophilic surface: 21.418

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.