MMsINC Database Search


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MMsINC code: MMs00844544

Type: Neutral
Formula: C₁₉H₂₀N₂O₂S

SMILES:

S(=O)(=O)(Nc1ccccc1C)c1c2c(ccc1)c(N(C)C)ccc2

InChI:

InChI=1/C19H20N2O2S/c1-14-8-4-5-11-17(14)20-24(22,23)19-13-7-9-15-16(19)10-6-12-18(15)21(2)3/h4-13,20H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.084 kcal/mol

Physical Properties
Molecular Weight: 340.447 g/mol	logS: -5.01248	SlogP: 4.01502	Reactive groups: 0

Topological Properties
Globularity: 0.231699	Sterimol/B1: 2.08474	Sterimol/B2: 4.86377	Sterimol/B3: 5.11129
Sterimol/B4: 7.90823	Sterimol/L: 13.6794

Surface and Volume Properties
Accessible surface: 555.3	Positive charged surface: 348.94	Negative charged surface: 201.073	Volume: 323.25
Hydrophobic surface: 484.506	Hydrophilic surface: 70.794

Pharmacophoric Properties
Hydrogen bond donors: 1	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.