MMsINC Database Search


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MMsINC code: MMs02996663

Type: Neutral
Formula: C₁₁H₁₃Cl₂NO₃S

SMILES:

ClC(Cl)C(S(=O)(=O)c1ccc(cc1)C)NC(=O)C

InChI:

InChI=1/C11H13Cl2NO3S/c1-7-3-5-9(6-4-7)18(16,17)11(10(12)13)14-8(2)15/h3-6,10-11H,1-2H3,(H,14,15)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.9738 kcal/mol

Physical Properties
Molecular Weight: 310.201 g/mol	logS: -3.47144	SlogP: 2.45452	Reactive groups: 0

Topological Properties
Globularity: 0.143644	Sterimol/B1: 3.29973	Sterimol/B2: 4.06153	Sterimol/B3: 4.90418
Sterimol/B4: 5.10108	Sterimol/L: 13.3545

Surface and Volume Properties
Accessible surface: 475.627	Positive charged surface: 201.359	Negative charged surface: 274.268	Volume: 254.125
Hydrophobic surface: 287.61	Hydrophilic surface: 188.017

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.