MMsINC Database Search


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MMsINC code: MMs02007485

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₃S

SMILES:

Clc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CCC)CCC)cc2)cc1

InChI:

InChI=1/C19H23ClN2O3S/c1-3-13-22(14-4-2)26(24,25)18-11-5-15(6-12-18)19(23)21-17-9-7-16(20)8-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.5621 kcal/mol

Physical Properties
Molecular Weight: 394.923 g/mol	logS: -5.06068	SlogP: 4.403	Reactive groups: 0

Topological Properties
Globularity: 0.0547138	Sterimol/B1: 1.969	Sterimol/B2: 3.25773	Sterimol/B3: 5.19092
Sterimol/B4: 8.02456	Sterimol/L: 20.2177

Surface and Volume Properties
Accessible surface: 655.696	Positive charged surface: 349.8	Negative charged surface: 305.896	Volume: 365.125
Hydrophobic surface: 522.281	Hydrophilic surface: 133.415

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.