MMsINC Database Search


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MMsINC code: MMs01375309

Type: Neutral
Formula: C₁₄H₁₃ClN₂O₃S

SMILES:

Clc1cc(NC(=O)CNS(=O)(=O)c2ccccc2)ccc1

InChI:

InChI=1/C14H13ClN2O3S/c15-11-5-4-6-12(9-11)17-14(18)10-16-21(19,20)13-7-2-1-3-8-13/h1-9,16H,10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.6713 kcal/mol

Physical Properties
Molecular Weight: 324.788 g/mol	logS: -3.95358	SlogP: 2.257	Reactive groups: 0

Topological Properties
Globularity: 0.0529447	Sterimol/B1: 2.60813	Sterimol/B2: 3.25972	Sterimol/B3: 4.36814
Sterimol/B4: 6.30632	Sterimol/L: 16.0818

Surface and Volume Properties
Accessible surface: 544.489	Positive charged surface: 250.235	Negative charged surface: 294.255	Volume: 275
Hydrophobic surface: 412.747	Hydrophilic surface: 131.742

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.