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MMsINC code: MMs03846557

Type: Neutral
Formula: C₁₈H₂₀Cl₂N₂O₃S

SMILES:

ClC(Cl)(N(C)C)C(S(=O)(=O)c1ccccc1)NC(=O)Cc1ccccc1

InChI:

InChI=1/C18H20Cl2N2O3S/c1-22(2)18(19,20)17(26(24,25)15-11-7-4-8-12-15)21-16(23)13-14-9-5-3-6-10-14/h3-12,17H,13H2,1-2H3,(H,21,23)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3992 kcal/mol

Physical Properties
Molecular Weight: 415.341 g/mol	logS: -4.94861	SlogP: 3.25817	Reactive groups: 0

Topological Properties
Globularity: 0.146065	Sterimol/B1: 2.07096	Sterimol/B2: 4.52887	Sterimol/B3: 6.00771
Sterimol/B4: 6.36613	Sterimol/L: 15.3355

Surface and Volume Properties
Accessible surface: 585.177	Positive charged surface: 325.226	Negative charged surface: 259.951	Volume: 359.125
Hydrophobic surface: 448.985	Hydrophilic surface: 136.192

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.