MMsINC Database Search


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MMsINC code: MMs00850384

Type: Neutral
Formula: C₁₇H₁₅ClN₂O₂S

SMILES:

Clc1ccc(cc1)CCNS(=O)(=O)c1c2ncccc2ccc1

InChI:

InChI=1/C17H15ClN2O2S/c18-15-8-6-13(7-9-15)10-12-20-23(21,22)16-5-1-3-14-4-2-11-19-17(14)16/h1-9,11,20H,10,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.3963 kcal/mol

Physical Properties
Molecular Weight: 346.838 g/mol	logS: -4.37506	SlogP: 3.40917	Reactive groups: 0

Topological Properties
Globularity: 0.108479	Sterimol/B1: 3.05449	Sterimol/B2: 4.74529	Sterimol/B3: 5.289
Sterimol/B4: 5.32387	Sterimol/L: 15.1963

Surface and Volume Properties
Accessible surface: 546.714	Positive charged surface: 259.708	Negative charged surface: 281.471	Volume: 304.625
Hydrophobic surface: 457.926	Hydrophilic surface: 88.788

Pharmacophoric Properties
Hydrogen bond donors: 1	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.