MMsINC Database Search


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MMsINC code: MMs03381548

Type: Neutral
Formula: C₁₆H₁₁ClN₂O₂S₂

SMILES:

Clc1ccc(NC(=O)c2sccc2)cc1NC(=O)c1sccc1

InChI:

InChI=1/C16H11ClN2O2S2/c17-11-6-5-10(18-15(20)13-3-1-7-22-13)9-12(11)19-16(21)14-4-2-8-23-14/h1-9H,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0771 kcal/mol

Physical Properties
Molecular Weight: 362.861 g/mol	logS: -5.67249	SlogP: 4.9676	Reactive groups: 0

Topological Properties
Globularity: 0.00937358	Sterimol/B1: 2.67672	Sterimol/B2: 2.77627	Sterimol/B3: 3.5505
Sterimol/B4: 7.25642	Sterimol/L: 18.5355

Surface and Volume Properties
Accessible surface: 578.441	Positive charged surface: 224.037	Negative charged surface: 354.404	Volume: 300.75
Hydrophobic surface: 503.213	Hydrophilic surface: 75.228

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.