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MMsINC code: MMs02843745

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

OC(=O)c1ccccc1NC(=O)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C17H14N2O3/c20-16(19-15-8-4-2-6-13(15)17(21)22)9-11-10-18-14-7-3-1-5-12(11)14/h1-8,10,18H,9H2,(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8504 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -3.67564	SlogP: 3.04727	Reactive groups: 0

Topological Properties
Globularity: 0.0758553	Sterimol/B1: 2.27382	Sterimol/B2: 3.41166	Sterimol/B3: 4.95411
Sterimol/B4: 5.70951	Sterimol/L: 14.9946

Surface and Volume Properties
Accessible surface: 523.892	Positive charged surface: 302.07	Negative charged surface: 218.492	Volume: 274.5
Hydrophobic surface: 364.935	Hydrophilic surface: 158.957

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02843746
PUBCHEM-ZINC02001656