MMsINC Database Search


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MMsINC code: MMs00164824

Type: Neutral
Formula: C₁₈H₁₄ClN₃O₃S

SMILES:

Clc1ccc(cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccc2)cc1

InChI:

InChI=1/C18H14ClN3O3S/c19-14-6-4-13(5-7-14)18(23)21-15-8-10-16(11-9-15)26(24,25)22-17-3-1-2-12-20-17/h1-12H,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9169 kcal/mol

Physical Properties
Molecular Weight: 387.847 g/mol	logS: -4.80412	SlogP: 3.7881	Reactive groups: 0

Topological Properties
Globularity: 0.0465846	Sterimol/B1: 2.42261	Sterimol/B2: 3.23654	Sterimol/B3: 4.99304
Sterimol/B4: 7.24085	Sterimol/L: 18.3054

Surface and Volume Properties
Accessible surface: 604.162	Positive charged surface: 284.441	Negative charged surface: 319.721	Volume: 330.875
Hydrophobic surface: 476.333	Hydrophilic surface: 127.829

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.