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MMsINC code: MMs02337578

Type: Neutral
Formula: C₁₄H₁₀N₂O₅S

SMILES:

S1CCN2C1(C(O)=O)C(N1C(=O)c3c(cccc3)C1=O)C2=O

InChI:

InChI=1/C14H10N2O5S/c17-10-7-3-1-2-4-8(7)11(18)16(10)9-12(19)15-5-6-22-14(9,15)13(20)21/h1-4,9H,5-6H2,(H,20,21)/t9-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.699 kcal/mol

Physical Properties
Molecular Weight: 318.309 g/mol	logS: -3.34267	SlogP: 0.0211	Reactive groups: 0

Topological Properties
Globularity: 0.111809	Sterimol/B1: 3.78092	Sterimol/B2: 3.89506	Sterimol/B3: 4.48966
Sterimol/B4: 4.63881	Sterimol/L: 14.4154

Surface and Volume Properties
Accessible surface: 480.977	Positive charged surface: 241.604	Negative charged surface: 229.284	Volume: 255.375
Hydrophobic surface: 274.971	Hydrophilic surface: 206.006

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02337579
NCID-ZINC01710413