MMsINC Database Search


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MMsINC code: MMs01037318

Type: Neutral
Formula: C₂₃H₁₈O₅S

SMILES:

S1c2c(OC1=O)c(cc(OC(=O)COc1ccccc1C)c2)-c1ccc(cc1)C

InChI:

InChI=1/C23H18O5S/c1-14-7-9-16(10-8-14)18-11-17(12-20-22(18)28-23(25)29-20)27-21(24)13-26-19-6-4-3-5-15(19)2/h3-12H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.627 kcal/mol

Physical Properties
Molecular Weight: 406.458 g/mol	logS: -8.02492	SlogP: 5.55934	Reactive groups: 0

Topological Properties
Globularity: 0.0639538	Sterimol/B1: 2.33392	Sterimol/B2: 3.732	Sterimol/B3: 4.45552
Sterimol/B4: 9.24207	Sterimol/L: 19.9571

Surface and Volume Properties
Accessible surface: 698.296	Positive charged surface: 365.494	Negative charged surface: 327.917	Volume: 372.375
Hydrophobic surface: 546.044	Hydrophilic surface: 152.252

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.