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MMsINC code: MMs02640815

Type: Neutral
Formula: C₁₆H₁₅N₃O₄S

SMILES:

S(CC(=O)Nc1ccc(NC(=O)C)cc1)c1ncccc1C(O)=O

InChI:

InChI=1/C16H15N3O4S/c1-10(20)18-11-4-6-12(7-5-11)19-14(21)9-24-15-13(16(22)23)3-2-8-17-15/h2-8H,9H2,1H3,(H,18,20)(H,19,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7099 kcal/mol

Physical Properties
Molecular Weight: 345.379 g/mol	logS: -3.63468	SlogP: 2.469	Reactive groups: 0

Topological Properties
Globularity: 0.016989	Sterimol/B1: 2.55046	Sterimol/B2: 3.79298	Sterimol/B3: 4.53321
Sterimol/B4: 5.20597	Sterimol/L: 19.5547

Surface and Volume Properties
Accessible surface: 593.856	Positive charged surface: 375.215	Negative charged surface: 218.642	Volume: 303.75
Hydrophobic surface: 380.682	Hydrophilic surface: 213.174

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs02640816
PUBCHEM-ZINC00216070