MMsINC Database Search


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MMsINC code: MMs00619264

Type: Neutral
Formula: C₁₅H₁₄N₂OS

SMILES:

S=C(Nc1ccccc1)NC(=O)c1ccc(cc1)C

InChI:

InChI=1/C15H14N2OS/c1-11-7-9-12(10-8-11)14(18)17-15(19)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.209 kcal/mol

Physical Properties
Molecular Weight: 270.356 g/mol	logS: -5.29228	SlogP: 3.12182	Reactive groups: 0

Topological Properties
Globularity: 0.0148012	Sterimol/B1: 2.70651	Sterimol/B2: 2.76581	Sterimol/B3: 3.22317
Sterimol/B4: 4.64778	Sterimol/L: 17.3992

Surface and Volume Properties
Accessible surface: 511.878	Positive charged surface: 275.337	Negative charged surface: 236.541	Volume: 258.375
Hydrophobic surface: 402.202	Hydrophilic surface: 109.676

Pharmacophoric Properties
Hydrogen bond donors: 2	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.