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MMsINC code: MMs00420838

Type: Neutral
Formula: C₂₀H₂₅ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)(C)C)cc1

InChI:

InChI=1/C20H25ClN2O3S/c1-20(2,3)22-19(24)15-23(14-13-16-7-5-4-6-8-16)27(25,26)18-11-9-17(21)10-12-18/h4-12H,13-15H2,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8344 kcal/mol

Physical Properties
Molecular Weight: 408.95 g/mol	logS: -5.0163	SlogP: 3.48807	Reactive groups: 0

Topological Properties
Globularity: 0.141751	Sterimol/B1: 3.9956	Sterimol/B2: 4.82325	Sterimol/B3: 5.26577
Sterimol/B4: 7.51827	Sterimol/L: 15.0652

Surface and Volume Properties
Accessible surface: 652.648	Positive charged surface: 346.952	Negative charged surface: 305.696	Volume: 384.375
Hydrophobic surface: 535.418	Hydrophilic surface: 117.23

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.