MMsINC Database Search


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MMsINC code: MMs02972818

Type: Neutral
Formula: C₁₅H₁₆N₂OS

SMILES:

S(CCNC(=O)c1ccccc1C)c1ncccc1

InChI:

InChI=1/C15H16N2OS/c1-12-6-2-3-7-13(12)15(18)17-10-11-19-14-8-4-5-9-16-14/h2-9H,10-11H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0835 kcal/mol

Physical Properties
Molecular Weight: 272.372 g/mol	logS: -3.87379	SlogP: 2.91212	Reactive groups: 0

Topological Properties
Globularity: 0.00717161	Sterimol/B1: 1.969	Sterimol/B2: 2.26146	Sterimol/B3: 2.59331
Sterimol/B4: 6.77187	Sterimol/L: 17.369

Surface and Volume Properties
Accessible surface: 526.76	Positive charged surface: 327.144	Negative charged surface: 199.616	Volume: 266.125
Hydrophobic surface: 451.925	Hydrophilic surface: 74.835

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.