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MMsINC code: MMs00219173

Type: Neutral
Formula: C₁₆H₁₃ClN₄O₄S₂

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1

InChI:

InChI=1/C16H13ClN4O4S2/c17-12-2-6-14(7-3-12)26(22,23)20-13-4-8-15(9-5-13)27(24,25)21-16-18-10-1-11-19-16/h1-11,20H,(H,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.61309 kcal/mol

Physical Properties
Molecular Weight: 424.889 g/mol	logS: -4.94745	SlogP: 2.7316	Reactive groups: 0

Topological Properties
Globularity: 0.107165	Sterimol/B1: 3.36771	Sterimol/B2: 3.47424	Sterimol/B3: 4.96635
Sterimol/B4: 6.93279	Sterimol/L: 17.0332

Surface and Volume Properties
Accessible surface: 607.002	Positive charged surface: 293.801	Negative charged surface: 313.201	Volume: 335.5
Hydrophobic surface: 412.99	Hydrophilic surface: 194.012

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.