MMsINC Database Search


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MMsINC code: MMs02671321

Type: Neutral
Formula: C₁₅H₉NO₄

SMILES:

O1Cc2nc3c(c(c2C1=O)-c1ccccc1)C(OC3)=O

InChI:

InChI=1/C15H9NO4/c17-14-12-9(6-19-14)16-10-7-20-15(18)13(10)11(12)8-4-2-1-3-5-8/h1-5H,6-7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3705 kcal/mol

Physical Properties
Molecular Weight: 267.24 g/mol	logS: -3.86722	SlogP: 2.6222	Reactive groups: 0

Topological Properties
Globularity: 0.110904	Sterimol/B1: 3.32376	Sterimol/B2: 3.32586	Sterimol/B3: 5.17216
Sterimol/B4: 5.17565	Sterimol/L: 11.4885

Surface and Volume Properties
Accessible surface: 441.7	Positive charged surface: 277.019	Negative charged surface: 163.309	Volume: 231.75
Hydrophobic surface: 278.682	Hydrophilic surface: 163.018

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.