MMsINC Database Search


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MMsINC code: MMs02387488

Type: Neutral
Formula: C₁₉H₁₅NOS

SMILES:

S(N=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H15NOS/c21-20-22-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.004 kcal/mol

Physical Properties
Molecular Weight: 305.401 g/mol	logS: -6.42546	SlogP: 5.7046	Reactive groups: 0

Topological Properties
Globularity: 0.373545	Sterimol/B1: 2.48576	Sterimol/B2: 3.24652	Sterimol/B3: 6.31728
Sterimol/B4: 9.24311	Sterimol/L: 11.5505

Surface and Volume Properties
Accessible surface: 505.776	Positive charged surface: 241.702	Negative charged surface: 264.074	Volume: 290.5
Hydrophobic surface: 505.776	Hydrophilic surface: 0

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.