MMsINC Database Search


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MMsINC code: MMs02468315

Type: Neutral
Formula: C₁₄H₁₄S₂

SMILES:

SCc1ccc(cc1)-c1ccc(cc1)CS

InChI:

InChI=1/C14H14S2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1429 kcal/mol

Physical Properties
Molecular Weight: 246.398 g/mol	logS: -5.7353	SlogP: 4.746	Reactive groups: 1

Topological Properties
Globularity: 0.0251789	Sterimol/B1: 2.09797	Sterimol/B2: 2.42775	Sterimol/B3: 3.89586
Sterimol/B4: 4.82725	Sterimol/L: 16.5314

Surface and Volume Properties
Accessible surface: 482.461	Positive charged surface: 247.62	Negative charged surface: 223.769	Volume: 242.625
Hydrophobic surface: 361.692	Hydrophilic surface: 120.769

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.