MMsINC Database Search


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MMsINC code: MMs00236959

Type: Neutral
Formula: C₂₀H₁₈N₂O₃S

SMILES:

s1cccc1C(=O)Nc1cc(NC(=O)c2ccc(OC)cc2)c(cc1)C

InChI:

InChI=1/C20H18N2O3S/c1-13-5-8-15(21-20(24)18-4-3-11-26-18)12-17(13)22-19(23)14-6-9-16(25-2)10-7-14/h3-12H,1-2H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.758 kcal/mol

Physical Properties
Molecular Weight: 366.441 g/mol	logS: -5.34238	SlogP: 4.56972	Reactive groups: 0

Topological Properties
Globularity: 0.0123182	Sterimol/B1: 2.32652	Sterimol/B2: 2.43961	Sterimol/B3: 3.31657
Sterimol/B4: 9.13372	Sterimol/L: 20.4731

Surface and Volume Properties
Accessible surface: 626.965	Positive charged surface: 347.879	Negative charged surface: 279.087	Volume: 340.25
Hydrophobic surface: 546.073	Hydrophilic surface: 80.892

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.