MMsINC Database Search


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MMsINC code: MMs01879911

Type: Neutral
Formula: C₁₈H₁₆O₇S

SMILES:

S(Oc1cc2OC(=O)C(=Cc2cc1)c1ccc(OC)cc1OC)(=O)(=O)C

InChI:

InChI=1/C18H16O7S/c1-22-12-6-7-14(17(9-12)23-2)15-8-11-4-5-13(25-26(3,20)21)10-16(11)24-18(15)19/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.639 kcal/mol

Physical Properties
Molecular Weight: 376.385 g/mol	logS: -4.92272	SlogP: 2.5018	Reactive groups: 0

Topological Properties
Globularity: 0.0606987	Sterimol/B1: 2.61013	Sterimol/B2: 3.4688	Sterimol/B3: 4.13506
Sterimol/B4: 6.62559	Sterimol/L: 19.0176

Surface and Volume Properties
Accessible surface: 604.426	Positive charged surface: 367.129	Negative charged surface: 237.297	Volume: 319.625
Hydrophobic surface: 455.204	Hydrophilic surface: 149.222

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.