MMsINC Database Search


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MMsINC code: MMs01524039

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(cc1)CCCC

InChI:

InChI=1/C19H23ClN2O3S/c1-4-5-6-14-7-9-15(10-8-14)21-19(23)17-13-16(11-12-18(17)20)26(24,25)22(2)3/h7-13H,4-6H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.3159 kcal/mol

Physical Properties
Molecular Weight: 394.923 g/mol	logS: -6.0223	SlogP: 4.18517	Reactive groups: 0

Topological Properties
Globularity: 0.0440832	Sterimol/B1: 2.49939	Sterimol/B2: 3.54424	Sterimol/B3: 4.91452
Sterimol/B4: 8.043	Sterimol/L: 19.4417

Surface and Volume Properties
Accessible surface: 668.71	Positive charged surface: 412.387	Negative charged surface: 256.323	Volume: 363.125
Hydrophobic surface: 562.624	Hydrophilic surface: 106.086

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.