MMsINC Database Search


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MMsINC code: MMs03233647

Type: Neutral
Formula: C₂₀H₁₆N₂OS

SMILES:

S(=O)(Cn1c2c(nc1-c1ccccc1)cccc2)c1ccccc1

InChI:

InChI=1/C20H16N2OS/c23-24(17-11-5-2-6-12-17)15-22-19-14-8-7-13-18(19)21-20(22)16-9-3-1-4-10-16/h1-14H,15H2/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2529 kcal/mol

Physical Properties
Molecular Weight: 332.427 g/mol	logS: -6.17426	SlogP: 4.735	Reactive groups: 0

Topological Properties
Globularity: 0.0267156	Sterimol/B1: 2.45828	Sterimol/B2: 2.59139	Sterimol/B3: 3.7146
Sterimol/B4: 10.6952	Sterimol/L: 14.8709

Surface and Volume Properties
Accessible surface: 555.433	Positive charged surface: 298.324	Negative charged surface: 257.109	Volume: 318.125
Hydrophobic surface: 496.269	Hydrophilic surface: 59.164

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.