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MMsINC code: MMs02779532

Type: Neutral
Formula: C₂₃H₂₃ClN₂O₃S

SMILES:

Clc1ccc(N(S(=O)(=O)c2ccc(cc2)C)CC(=O)Nc2ccc(cc2)CC)cc1

InChI:

InChI=1/C23H23ClN2O3S/c1-3-18-6-10-20(11-7-18)25-23(27)16-26(21-12-8-19(24)9-13-21)30(28,29)22-14-4-17(2)5-15-22/h4-15H,3,16H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.242 kcal/mol

Physical Properties
Molecular Weight: 442.967 g/mol	logS: -7.31608	SlogP: 5.04479	Reactive groups: 0

Topological Properties
Globularity: 0.185961	Sterimol/B1: 4.67779	Sterimol/B2: 5.00027	Sterimol/B3: 6.00152
Sterimol/B4: 6.90641	Sterimol/L: 16.5207

Surface and Volume Properties
Accessible surface: 683.604	Positive charged surface: 358.848	Negative charged surface: 324.756	Volume: 408
Hydrophobic surface: 577.184	Hydrophilic surface: 106.42

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.