MMsINC Database Search


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MMsINC code: MMs02358460

Type: Neutral
Formula: C₁₄H₁₆O₂P₂S₄

SMILES:

S(S[PH](=S)c1ccc(OC)cc1)[PH](=S)c1ccc(OC)cc1

InChI:

InChI=1/C14H16O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-22-18(20)14-9-5-12(16-2)6-10-14/h3-10,17-18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8354 kcal/mol

Physical Properties
Molecular Weight: 406.492 g/mol	logS: -8.4112	SlogP: 4.2182	Reactive groups: 1

Topological Properties
Globularity: 0.0172396	Sterimol/B1: 3.25246	Sterimol/B2: 3.70818	Sterimol/B3: 3.88524
Sterimol/B4: 5.01241	Sterimol/L: 21.8453

Surface and Volume Properties
Accessible surface: 628.509	Positive charged surface: 299.552	Negative charged surface: 328.957	Volume: 345.25
Hydrophobic surface: 452.318	Hydrophilic surface: 176.191

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.