MMsINC Database Search


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MMsINC code: MMs01275784

Type: Neutral
Formula: C₁₄H₁₄ClN₃O₄S₂

SMILES:

Clc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1sccc1C(=O)N

InChI:

InChI=1/C14H14ClN3O4S2/c1-18(2)24(21,22)8-3-4-11(15)10(7-8)13(20)17-14-9(12(16)19)5-6-23-14/h3-7H,1-2H3,(H2,16,19)(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4296 kcal/mol

Physical Properties
Molecular Weight: 387.868 g/mol	logS: -4.21985	SlogP: 2.003	Reactive groups: 0

Topological Properties
Globularity: 0.0458769	Sterimol/B1: 2.34553	Sterimol/B2: 2.50081	Sterimol/B3: 4.4842
Sterimol/B4: 9.03332	Sterimol/L: 15.3298

Surface and Volume Properties
Accessible surface: 566.433	Positive charged surface: 302.805	Negative charged surface: 263.628	Volume: 308.5
Hydrophobic surface: 398.365	Hydrophilic surface: 168.068

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.