MMsINC Database Search


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MMsINC code: MMs02931853

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₃S₂

SMILES:

Clc1ccc(SCCNC(=O)CN(S(=O)(=O)C)c2ccc(cc2)CC)cc1

InChI:

InChI=1/C19H23ClN2O3S2/c1-3-15-4-8-17(9-5-15)22(27(2,24)25)14-19(23)21-12-13-26-18-10-6-16(20)7-11-18/h4-11H,3,12-14H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8033 kcal/mol

Physical Properties
Molecular Weight: 426.989 g/mol	logS: -6.01018	SlogP: 3.57687	Reactive groups: 0

Topological Properties
Globularity: 0.0388623	Sterimol/B1: 2.32786	Sterimol/B2: 3.09676	Sterimol/B3: 4.27611
Sterimol/B4: 9.99255	Sterimol/L: 20.4633

Surface and Volume Properties
Accessible surface: 705.344	Positive charged surface: 365.796	Negative charged surface: 339.548	Volume: 383
Hydrophobic surface: 553.765	Hydrophilic surface: 151.579

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.