MMsINC Database Search


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MMsINC code: MMs00845097

Type: Neutral
Formula: C₂₀H₁₉NO₂S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)c1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C20H19NO2S/c1-17-12-14-20(15-13-17)24(22,23)21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2105 kcal/mol

Physical Properties
Molecular Weight: 337.443 g/mol	logS: -5.36412	SlogP: 4.65692	Reactive groups: 0

Topological Properties
Globularity: 0.0987026	Sterimol/B1: 2.96842	Sterimol/B2: 4.26201	Sterimol/B3: 4.65075
Sterimol/B4: 7.28784	Sterimol/L: 15.9616

Surface and Volume Properties
Accessible surface: 570.326	Positive charged surface: 317.381	Negative charged surface: 252.946	Volume: 327.5
Hydrophobic surface: 526.76	Hydrophilic surface: 43.566

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.