MMsINC Database Search


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MMsINC code: MMs02559017

Type: Neutral
Formula: C₂₄H₂₄ClNO₃S

SMILES:

Clc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(CC2)Cc2ccccc2)cc1

InChI:

InChI=1/C24H24ClNO3S/c25-23-8-4-5-9-24(23)29-21-10-12-22(13-11-21)30(27,28)26-16-14-20(15-17-26)18-19-6-2-1-3-7-19/h1-13,20H,14-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1588 kcal/mol

Physical Properties
Molecular Weight: 441.979 g/mol	logS: -6.58697	SlogP: 5.77567	Reactive groups: 0

Topological Properties
Globularity: 0.0778794	Sterimol/B1: 2.61837	Sterimol/B2: 3.64504	Sterimol/B3: 5.21626
Sterimol/B4: 8.60701	Sterimol/L: 19.78

Surface and Volume Properties
Accessible surface: 697.128	Positive charged surface: 377.763	Negative charged surface: 319.365	Volume: 408.125
Hydrophobic surface: 638.941	Hydrophilic surface: 58.187

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.