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MMsINC code: MMs00200137

Type: Neutral
Formula: C₁₉H₂₀N₂O₃S

SMILES:

S(C)c1cc(OC)c(cc1)C(=O)NCCN1Cc2c(cccc2)C1=O

InChI:

InChI=1/C19H20N2O3S/c1-24-17-11-14(25-2)7-8-16(17)18(22)20-9-10-21-12-13-5-3-4-6-15(13)19(21)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8722 kcal/mol

Physical Properties
Molecular Weight: 356.446 g/mol	logS: -4.55967	SlogP: 3.0693	Reactive groups: 0

Topological Properties
Globularity: 0.0364727	Sterimol/B1: 2.48646	Sterimol/B2: 3.84973	Sterimol/B3: 4.05187
Sterimol/B4: 8.18654	Sterimol/L: 19.8402

Surface and Volume Properties
Accessible surface: 636.417	Positive charged surface: 401.458	Negative charged surface: 234.959	Volume: 338.25
Hydrophobic surface: 507.76	Hydrophilic surface: 128.657

Pharmacophoric Properties
Hydrogen bond donors: 1	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.