MMsINC Database Search


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MMsINC code: MMs00735630

Type: Neutral
Formula: C₂₃H₃₂O₂

SMILES:

O(CCCOc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C23H32O2/c1-22(2,3)18-8-12-20(13-9-18)24-16-7-17-25-21-14-10-19(11-15-21)23(4,5)6/h8-15H,7,16-17H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.507 kcal/mol

Physical Properties
Molecular Weight: 340.507 g/mol	logS: -7.52091	SlogP: 6.1295	Reactive groups: 0

Topological Properties
Globularity: 0.0208647	Sterimol/B1: 2.37517	Sterimol/B2: 3.90885	Sterimol/B3: 4.87406
Sterimol/B4: 4.89077	Sterimol/L: 21.2768

Surface and Volume Properties
Accessible surface: 683.166	Positive charged surface: 458.201	Negative charged surface: 224.965	Volume: 377.875
Hydrophobic surface: 567.928	Hydrophilic surface: 115.238

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.