MMsINC Database Search


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MMsINC code: MMs02521632

Type: Neutral
Formula: C₁₇H₁₂N₂O₃

SMILES:

OC(=O)c1ccccc1NC(=O)c1nc2c(cc1)cccc2

InChI:

InChI=1/C17H12N2O3/c20-16(19-14-8-4-2-6-12(14)17(21)22)15-10-9-11-5-1-3-7-13(11)18-15/h1-10H,(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7015 kcal/mol

Physical Properties
Molecular Weight: 292.294 g/mol	logS: -4.06573	SlogP: 3.1853	Reactive groups: 0

Topological Properties
Globularity: 0.0163085	Sterimol/B1: 2.52003	Sterimol/B2: 2.737	Sterimol/B3: 4.62379
Sterimol/B4: 5.25296	Sterimol/L: 16.1162

Surface and Volume Properties
Accessible surface: 511.807	Positive charged surface: 278.959	Negative charged surface: 227.313	Volume: 268
Hydrophobic surface: 378.715	Hydrophilic surface: 133.092

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02521633
NIH-ZINC00447400