MMsINC Database Search


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MMsINC code: MMs02824899

Type: Neutral
Formula: C₂₀H₁₉NO₃S

SMILES:

S(O)(=O)(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1

InChI:

InChI=1/C20H19NO3S/c22-25(23,24)20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6166 kcal/mol

Physical Properties
Molecular Weight: 353.442 g/mol	logS: -4.89816	SlogP: 4.1072	Reactive groups: 0

Topological Properties
Globularity: 0.117321	Sterimol/B1: 2.75002	Sterimol/B2: 2.86794	Sterimol/B3: 3.91255
Sterimol/B4: 11.0119	Sterimol/L: 14.6191

Surface and Volume Properties
Accessible surface: 583.767	Positive charged surface: 287.628	Negative charged surface: 296.139	Volume: 332
Hydrophobic surface: 447.824	Hydrophilic surface: 135.943

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02824900
PUBCHEM-ZINC01848527