MMsINC Database Search


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MMsINC code: MMs01254629

Type: Neutral
Formula: C₁₈H₁₆N₂O₂S

SMILES:

S(C)c1cc(NC(=O)c2c(noc2C)-c2ccccc2)ccc1

InChI:

InChI=1/C18H16N2O2S/c1-12-16(17(20-22-12)13-7-4-3-5-8-13)18(21)19-14-9-6-10-15(11-14)23-2/h3-11H,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3555 kcal/mol

Physical Properties
Molecular Weight: 324.404 g/mol	logS: -5.73119	SlogP: 4.62422	Reactive groups: 0

Topological Properties
Globularity: 0.0833697	Sterimol/B1: 2.40642	Sterimol/B2: 3.58161	Sterimol/B3: 4.01042
Sterimol/B4: 9.69626	Sterimol/L: 15.7743

Surface and Volume Properties
Accessible surface: 570.713	Positive charged surface: 272.806	Negative charged surface: 297.907	Volume: 306.125
Hydrophobic surface: 465.084	Hydrophilic surface: 105.629

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.