MMsINC Database Search


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MMsINC code: MMs03207269

Type: Neutral
Formula: C₂₂H₂₆O

SMILES:

OCc1ccc(cc1)\C=C(/C)\c1cc2c(CCCC2(C)C)cc1

InChI:

InChI=1/C22H26O/c1-16(13-17-6-8-18(15-23)9-7-17)20-11-10-19-5-4-12-22(2,3)21(19)14-20/h6-11,13-14,23H,4-5,12,15H2,1-3H3/b16-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3233 kcal/mol

Physical Properties
Molecular Weight: 306.449 g/mol	logS: -7.26716	SlogP: 5.61967	Reactive groups: 0

Topological Properties
Globularity: 0.17885	Sterimol/B1: 2.27116	Sterimol/B2: 4.40129	Sterimol/B3: 4.44057
Sterimol/B4: 8.96896	Sterimol/L: 13.4876

Surface and Volume Properties
Accessible surface: 568.759	Positive charged surface: 393.224	Negative charged surface: 175.535	Volume: 331.375
Hydrophobic surface: 471.849	Hydrophilic surface: 96.91

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