MMsINC Database Search


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MMsINC code: MMs01725288

Type: Neutral
Formula: C₁₁H₁₂ClNO₃S

SMILES:

Clc1ccc(cc1)C1S(=O)(=O)CCC(=O)N1C

InChI:

InChI=1/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6287 kcal/mol

Physical Properties
Molecular Weight: 273.74 g/mol	logS: -2.18197	SlogP: 1.711	Reactive groups: 0

Topological Properties
Globularity: 0.194844	Sterimol/B1: 2.27953	Sterimol/B2: 3.01503	Sterimol/B3: 4.55166
Sterimol/B4: 6.84915	Sterimol/L: 13.1552

Surface and Volume Properties
Accessible surface: 435.803	Positive charged surface: 219.203	Negative charged surface: 216.601	Volume: 223.375
Hydrophobic surface: 343.05	Hydrophilic surface: 92.753

Pharmacophoric Properties
Hydrogen bond donors: 0	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.