MMsINC Database Search


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MMsINC code: MMs00288551

Type: Neutral
Formula: C₁₅H₁₄ClNO₂S

SMILES:

Clc1cc(S(=O)(=O)N2CCc3c(C2)cccc3)ccc1

InChI:

InChI=1/C15H14ClNO2S/c16-14-6-3-7-15(10-14)20(18,19)17-9-8-12-4-1-2-5-13(12)11-17/h1-7,10H,8-9,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.1116 kcal/mol

Physical Properties
Molecular Weight: 307.801 g/mol	logS: -3.9845	SlogP: 3.35337	Reactive groups: 0

Topological Properties
Globularity: 0.0574083	Sterimol/B1: 2.89897	Sterimol/B2: 3.97647	Sterimol/B3: 4.36966
Sterimol/B4: 4.38553	Sterimol/L: 15.132

Surface and Volume Properties
Accessible surface: 500.958	Positive charged surface: 237.41	Negative charged surface: 263.548	Volume: 270.625
Hydrophobic surface: 445.985	Hydrophilic surface: 54.973

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.