MMsINC Database Search


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MMsINC code: MMs01589441

Type: Neutral
Formula: C₁₄H₁₅ClN₂O₂S

SMILES:

Clc1ncc(S(=O)(=O)N(Cc2ccccc2C)C)cc1

InChI:

InChI=1/C14H15ClN2O2S/c1-11-5-3-4-6-12(11)10-17(2)20(18,19)13-7-8-14(15)16-9-13/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.7221 kcal/mol

Physical Properties
Molecular Weight: 310.805 g/mol	logS: -3.32767	SlogP: 3.13052	Reactive groups: 0

Topological Properties
Globularity: 0.0852564	Sterimol/B1: 2.04804	Sterimol/B2: 2.76176	Sterimol/B3: 5.02659
Sterimol/B4: 6.51065	Sterimol/L: 15.7635

Surface and Volume Properties
Accessible surface: 498.853	Positive charged surface: 247.681	Negative charged surface: 251.172	Volume: 272.375
Hydrophobic surface: 421.614	Hydrophilic surface: 77.239

Pharmacophoric Properties
Hydrogen bond donors: 0	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.