MMsINC Database Search


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MMsINC code: MMs02915631

Type: Neutral
Formula: C₁₅H₁₆ClNO₂S

SMILES:

Clc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1

InChI:

InChI=1/C15H16ClNO2S/c16-14-8-10-15(11-9-14)20(18,19)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.4544 kcal/mol

Physical Properties
Molecular Weight: 309.817 g/mol	logS: -3.98829	SlogP: 3.25107	Reactive groups: 0

Topological Properties
Globularity: 0.079262	Sterimol/B1: 3.28638	Sterimol/B2: 4.26473	Sterimol/B3: 4.34789
Sterimol/B4: 5.08243	Sterimol/L: 16.9058

Surface and Volume Properties
Accessible surface: 553.984	Positive charged surface: 263.69	Negative charged surface: 290.294	Volume: 280.25
Hydrophobic surface: 471.756	Hydrophilic surface: 82.228

Pharmacophoric Properties
Hydrogen bond donors: 1	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.