MMsINC Database Search


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MMsINC code: MMs01289444

Type: Neutral
Formula: C₂₄H₂₀N₂OS

SMILES:

S(CC(=O)NC(c1ccccc1)c1ccccc1)c1c2ncccc2ccc1

InChI:

InChI=1/C24H20N2OS/c27-22(17-28-21-15-7-13-20-14-8-16-25-24(20)21)26-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,23H,17H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.21 kcal/mol

Physical Properties
Molecular Weight: 384.503 g/mol	logS: -6.70319	SlogP: 5.3282	Reactive groups: 0

Topological Properties
Globularity: 0.0826986	Sterimol/B1: 2.24576	Sterimol/B2: 3.5275	Sterimol/B3: 5.27342
Sterimol/B4: 8.76345	Sterimol/L: 18.0867

Surface and Volume Properties
Accessible surface: 673.879	Positive charged surface: 369.345	Negative charged surface: 299.717	Volume: 376.125
Hydrophobic surface: 596.297	Hydrophilic surface: 77.582

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.