MMsINC Database Search


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MMsINC code: MMs01687788

Type: Neutral
Formula: C₁₅H₁₆ClNO₂S

SMILES:

Clc1cc(S(=O)(=O)N(Cc2ccc(cc2)C)C)ccc1

InChI:

InChI=1/C15H16ClNO2S/c1-12-6-8-13(9-7-12)11-17(2)20(18,19)15-5-3-4-14(16)10-15/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.3301 kcal/mol

Physical Properties
Molecular Weight: 309.817 g/mol	logS: -4.27455	SlogP: 3.73552	Reactive groups: 0

Topological Properties
Globularity: 0.0600422	Sterimol/B1: 3.60837	Sterimol/B2: 3.98017	Sterimol/B3: 4.55416
Sterimol/B4: 4.57191	Sterimol/L: 15.976

Surface and Volume Properties
Accessible surface: 519.636	Positive charged surface: 268.448	Negative charged surface: 251.188	Volume: 281.875
Hydrophobic surface: 466.752	Hydrophilic surface: 52.884

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.