MMsINC Database Search


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MMsINC code: MMs02442089

Type: Neutral
Formula: C₁₄H₁₁ClO₂S

SMILES:

ClC1S(=O)(=O)Cc2c(-c3c1cccc3)cccc2

InChI:

InChI=1/C14H11ClO2S/c15-14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-18(14,16)17/h1-8,14H,9H2/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.534 kcal/mol

Physical Properties
Molecular Weight: 278.759 g/mol	logS: -4.6644	SlogP: 3.8813	Reactive groups: 0

Topological Properties
Globularity: 0.166035	Sterimol/B1: 3.42653	Sterimol/B2: 3.43044	Sterimol/B3: 4.20524
Sterimol/B4: 5.84675	Sterimol/L: 12.145

Surface and Volume Properties
Accessible surface: 428.057	Positive charged surface: 203.309	Negative charged surface: 222.505	Volume: 236.625
Hydrophobic surface: 324.099	Hydrophilic surface: 103.958

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.