MMsINC Database Search


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MMsINC code: MMs01893986

Type: Neutral
Formula: C₁₉H₁₅NS

SMILES:

S1c2c(cccc2)C(c2c1cccc2)c1ccc(N)cc1

InChI:

InChI=1/C19H15NS/c20-14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12,19H,20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6687 kcal/mol

Physical Properties
Molecular Weight: 289.402 g/mol	logS: -5.1552	SlogP: 4.9136	Reactive groups: 0

Topological Properties
Globularity: 0.308853	Sterimol/B1: 2.57961	Sterimol/B2: 2.90891	Sterimol/B3: 4.96844
Sterimol/B4: 9.67643	Sterimol/L: 11.4037

Surface and Volume Properties
Accessible surface: 505.834	Positive charged surface: 276.666	Negative charged surface: 229.169	Volume: 284
Hydrophobic surface: 414.97	Hydrophilic surface: 90.864

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.