MMsINC Database Search


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MMsINC code: MMs01627640

Type: Neutral
Formula: C₂₀H₁₇NO₄S

SMILES:

S(=O)(=O)(N(C)c1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1

InChI:

InChI=1/C20H17NO4S/c1-21(26(23,24)19-10-6-3-7-11-19)17-12-14-18(15-13-17)25-20(22)16-8-4-2-5-9-16/h2-15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5558 kcal/mol

Physical Properties
Molecular Weight: 367.425 g/mol	logS: -5.23636	SlogP: 3.7309	Reactive groups: 0

Topological Properties
Globularity: 0.0598849	Sterimol/B1: 2.41439	Sterimol/B2: 2.65374	Sterimol/B3: 5.29815
Sterimol/B4: 7.541	Sterimol/L: 18.4911

Surface and Volume Properties
Accessible surface: 611.479	Positive charged surface: 329.495	Negative charged surface: 281.984	Volume: 336.75
Hydrophobic surface: 526.799	Hydrophilic surface: 84.68

Pharmacophoric Properties
Hydrogen bond donors: 0	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.