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MMsINC code: MMs02991980

Type: Neutral
Formula: C₁₇H₁₅N₃O₄

SMILES:

OC(=O)c1ccc(cc1)\C=N\NC(=O)C(=O)NCc1ccccc1

InChI:

InChI=1/C17H15N3O4/c21-15(18-10-12-4-2-1-3-5-12)16(22)20-19-11-13-6-8-14(9-7-13)17(23)24/h1-9,11H,10H2,(H,18,21)(H,20,22)(H,23,24)/b19-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8062 kcal/mol

Physical Properties
Molecular Weight: 325.324 g/mol	logS: -3.68012	SlogP: 1.4177	Reactive groups: 0

Topological Properties
Globularity: 0.0213958	Sterimol/B1: 2.74684	Sterimol/B2: 3.61721	Sterimol/B3: 3.61781
Sterimol/B4: 5.90769	Sterimol/L: 20.4728

Surface and Volume Properties
Accessible surface: 606.581	Positive charged surface: 343.19	Negative charged surface: 263.391	Volume: 302.875
Hydrophobic surface: 369.102	Hydrophilic surface: 237.479

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

MMs02991981
PUBCHEM-ZINC03088675