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MMsINC code: MMs00841687

Type: Neutral
Formula: C₁₇H₁₁NO₃

SMILES:

OC(=O)c1c2c(ncc1C(=O)c1ccccc1)cccc2

InChI:

InChI=1/C17H11NO3/c19-16(11-6-2-1-3-7-11)13-10-18-14-9-5-4-8-12(14)15(13)17(20)21/h1-10H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0946 kcal/mol

Physical Properties
Molecular Weight: 277.279 g/mol	logS: -4.01563	SlogP: 3.164	Reactive groups: 0

Topological Properties
Globularity: 0.145238	Sterimol/B1: 2.97166	Sterimol/B2: 4.37094	Sterimol/B3: 4.6654
Sterimol/B4: 5.77497	Sterimol/L: 14.4642

Surface and Volume Properties
Accessible surface: 483.229	Positive charged surface: 252.712	Negative charged surface: 226.083	Volume: 257.625
Hydrophobic surface: 360.844	Hydrophilic surface: 122.385

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs00841688
CHEMDIV-ZINC00215395