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MMsINC code: MMs02810603

Type: Neutral
Formula: C₁₉H₁₄N₂O₃S₂

SMILES:

s1cccc1C(=O)C=1C(N(C(=O)C=1O)c1sccn1)c1ccc(cc1)C

InChI:

InChI=1/C19H14N2O3S2/c1-11-4-6-12(7-5-11)15-14(16(22)13-3-2-9-25-13)17(23)18(24)21(15)19-20-8-10-26-19/h2-10,15,23H,1H3/t15-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4983 kcal/mol

Physical Properties
Molecular Weight: 382.464 g/mol	logS: -5.43842	SlogP: 4.39142	Reactive groups: 1

Topological Properties
Globularity: 0.247823	Sterimol/B1: 2.13633	Sterimol/B2: 4.28559	Sterimol/B3: 4.5977
Sterimol/B4: 9.72937	Sterimol/L: 14.0009

Surface and Volume Properties
Accessible surface: 593.304	Positive charged surface: 302.854	Negative charged surface: 290.45	Volume: 334.875
Hydrophobic surface: 470.829	Hydrophilic surface: 122.475

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02810606
PUBCHEM-ZINC01470343