MMsINC Database Search


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MMsINC code: MMs02677295

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)NC(=O)NCCc2ccccc2)cc1

InChI:

InChI=1/C15H15ClN2O3S/c16-13-6-8-14(9-7-13)22(20,21)18-15(19)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-12.2627 kcal/mol

Physical Properties
Molecular Weight: 338.815 g/mol	logS: -4.21494	SlogP: 2.57057	Reactive groups: 0

Topological Properties
Globularity: 0.0693853	Sterimol/B1: 3.39832	Sterimol/B2: 3.80275	Sterimol/B3: 4.59512
Sterimol/B4: 5.95629	Sterimol/L: 15.8476

Surface and Volume Properties
Accessible surface: 571.801	Positive charged surface: 276.164	Negative charged surface: 295.638	Volume: 294.625
Hydrophobic surface: 448.114	Hydrophilic surface: 123.687

Pharmacophoric Properties
Hydrogen bond donors: 2	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.