MMsINC Database Search


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MMsINC code: MMs02366783

Type: Neutral
Formula: C₂₄H₃₄O₂S

SMILES:

S(CCOc1ccc(cc1)C(C)(C)C)CCOc1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H34O2S/c1-23(2,3)19-7-11-21(12-8-19)25-15-17-27-18-16-26-22-13-9-20(10-14-22)24(4,5)6/h7-14H,15-18H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.402 kcal/mol

Physical Properties
Molecular Weight: 386.6 g/mol	logS: -8.31102	SlogP: 6.4726	Reactive groups: 0

Topological Properties
Globularity: 0.0142769	Sterimol/B1: 2.37518	Sterimol/B2: 3.93938	Sterimol/B3: 4.69131
Sterimol/B4: 4.87417	Sterimol/L: 24.4007

Surface and Volume Properties
Accessible surface: 755.005	Positive charged surface: 504.129	Negative charged surface: 250.875	Volume: 415.75
Hydrophobic surface: 608.808	Hydrophilic surface: 146.197

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.