MMsINC Database Search


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MMsINC code: MMs00733477

Type: Neutral
Formula: C₂₃H₃₂O₂

SMILES:

O(CCCOc1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C

InChI:

InChI=1/C23H32O2/c1-22(2,3)18-12-7-9-14-20(18)24-16-11-17-25-21-15-10-8-13-19(21)23(4,5)6/h7-10,12-15H,11,16-17H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.273 kcal/mol

Physical Properties
Molecular Weight: 340.507 g/mol	logS: -6.89401	SlogP: 6.1295	Reactive groups: 0

Topological Properties
Globularity: 0.0377517	Sterimol/B1: 2.57426	Sterimol/B2: 3.62303	Sterimol/B3: 3.63154
Sterimol/B4: 7.40072	Sterimol/L: 17.0168

Surface and Volume Properties
Accessible surface: 655.394	Positive charged surface: 422.872	Negative charged surface: 232.522	Volume: 379.25
Hydrophobic surface: 552.792	Hydrophilic surface: 102.602

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.