MMsINC Database Search


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MMsINC code: MMs01238682

Type: Neutral
Formula: C₁₈H₁₈Cl₂N₂O₃S

SMILES:

Clc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1

InChI:

InChI=1/C18H18Cl2N2O3S/c19-14-6-7-16(20)17(12-14)21-18(23)13-8-10-22(11-9-13)26(24,25)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.7629 kcal/mol

Physical Properties
Molecular Weight: 413.325 g/mol	logS: -5.07231	SlogP: 4.0328	Reactive groups: 0

Topological Properties
Globularity: 0.117728	Sterimol/B1: 2.56463	Sterimol/B2: 3.58499	Sterimol/B3: 4.40791
Sterimol/B4: 7.78093	Sterimol/L: 15.0688

Surface and Volume Properties
Accessible surface: 615.594	Positive charged surface: 285.182	Negative charged surface: 330.412	Volume: 349.625
Hydrophobic surface: 534.609	Hydrophilic surface: 80.985

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.