MMsINC Database Search


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MMsINC code: MMs00858857

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₄S

SMILES:

Clc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(=O)N2CCOCC2)cc1

InChI:

InChI=1/C19H21ClN2O4S/c20-17-6-8-18(9-7-17)27(24,25)22(14-16-4-2-1-3-5-16)15-19(23)21-10-12-26-13-11-21/h1-9H,10-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1284 kcal/mol

Physical Properties
Molecular Weight: 408.906 g/mol	logS: -4.15869	SlogP: 2.6561	Reactive groups: 0

Topological Properties
Globularity: 0.104843	Sterimol/B1: 2.28457	Sterimol/B2: 3.65301	Sterimol/B3: 3.79398
Sterimol/B4: 10.3377	Sterimol/L: 15.7422

Surface and Volume Properties
Accessible surface: 619.291	Positive charged surface: 365.705	Negative charged surface: 253.587	Volume: 360.375
Hydrophobic surface: 550.299	Hydrophilic surface: 68.992

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.