MMsINC Database Search


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MMsINC code: MMs01580204

Type: Neutral
Formula: C₁₅H₁₀N₂O₄

SMILES:

O=C1N(COC(=O)c2ncccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C15H10N2O4/c18-13-10-5-1-2-6-11(10)14(19)17(13)9-21-15(20)12-7-3-4-8-16-12/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6551 kcal/mol

Physical Properties
Molecular Weight: 282.255 g/mol	logS: -2.71108	SlogP: 1.4921	Reactive groups: 0

Topological Properties
Globularity: 0.0993388	Sterimol/B1: 2.86378	Sterimol/B2: 3.46083	Sterimol/B3: 4.62723
Sterimol/B4: 5.48628	Sterimol/L: 15.0064

Surface and Volume Properties
Accessible surface: 494.159	Positive charged surface: 287.33	Negative charged surface: 206.829	Volume: 247.5
Hydrophobic surface: 366.22	Hydrophilic surface: 127.939

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