MMsINC Database Search


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MMsINC code: MMs02197159

Type: Neutral
Formula: C₂₀H₂₆N₂O₃S

SMILES:

S(=O)(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C20H26N2O3S/c1-4-14-22(15-5-2)26(24,25)19-12-8-17(9-13-19)20(23)21-18-10-6-16(3)7-11-18/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0457 kcal/mol

Physical Properties
Molecular Weight: 374.505 g/mol	logS: -4.80031	SlogP: 4.05802	Reactive groups: 0

Topological Properties
Globularity: 0.0480183	Sterimol/B1: 1.969	Sterimol/B2: 3.34197	Sterimol/B3: 5.19817
Sterimol/B4: 8.03522	Sterimol/L: 20.0738

Surface and Volume Properties
Accessible surface: 659.686	Positive charged surface: 395.565	Negative charged surface: 264.121	Volume: 366.875
Hydrophobic surface: 524.386	Hydrophilic surface: 135.3

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.