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MMsINC code: MMs01166961

Type: Neutral
Formula: C₂₀H₂₀N₂O₂S

SMILES:

S(Cc1ccc(cc1)C(=O)N1CCCC1)c1oc2c(n1)cc(cc2)C

InChI:

InChI=1/C20H20N2O2S/c1-14-4-9-18-17(12-14)21-20(24-18)25-13-15-5-7-16(8-6-15)19(23)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0662 kcal/mol

Physical Properties
Molecular Weight: 352.458 g/mol	logS: -6.47237	SlogP: 4.93092	Reactive groups: 0

Topological Properties
Globularity: 0.0249995	Sterimol/B1: 2.80134	Sterimol/B2: 3.48897	Sterimol/B3: 3.8492
Sterimol/B4: 5.30568	Sterimol/L: 21.0761

Surface and Volume Properties
Accessible surface: 633.578	Positive charged surface: 391.693	Negative charged surface: 241.885	Volume: 338.375
Hydrophobic surface: 513.33	Hydrophilic surface: 120.248

Pharmacophoric Properties
Hydrogen bond donors: 0	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.