MMsINC Database Search


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MMsINC code: MMs02769711

Type: Neutral
Formula: C₁₆H₁₄S₂

SMILES:

S1CCSC(=C1c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H14S2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5978 kcal/mol

Physical Properties
Molecular Weight: 270.42 g/mol	logS: -5.89586	SlogP: 4.9924	Reactive groups: 0

Topological Properties
Globularity: 0.168106	Sterimol/B1: 2.8024	Sterimol/B2: 3.01124	Sterimol/B3: 4.04469
Sterimol/B4: 7.84816	Sterimol/L: 11.4433

Surface and Volume Properties
Accessible surface: 465.756	Positive charged surface: 278.625	Negative charged surface: 187.132	Volume: 260.625
Hydrophobic surface: 400.345	Hydrophilic surface: 65.411

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