MMsINC Database Search


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MMsINC code: MMs02860150

Type: Neutral
Formula: C₁₆H₁₉O₃PS₃

SMILES:

S(SP(=S)(OC)c1ccc(OC)cc1)Cc1ccc(OC)cc1

InChI:

InChI=1/C16H19O3PS3/c1-17-14-6-4-13(5-7-14)12-22-23-20(21,19-3)16-10-8-15(18-2)9-11-16/h4-11H,12H2,1-3H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.716 kcal/mol

Physical Properties
Molecular Weight: 386.497 g/mol	logS: -6.51022	SlogP: 5.133	Reactive groups: 1

Topological Properties
Globularity: 0.062605	Sterimol/B1: 2.19727	Sterimol/B2: 2.44065	Sterimol/B3: 5.5555
Sterimol/B4: 9.74448	Sterimol/L: 15.9981

Surface and Volume Properties
Accessible surface: 614.97	Positive charged surface: 378.041	Negative charged surface: 236.928	Volume: 344.625
Hydrophobic surface: 480.661	Hydrophilic surface: 134.309

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.