MMsINC Database Search


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MMsINC code: MMs00070358

Type: Neutral
Formula: C₁₄H₁₀N₂O₃

SMILES:

O(C)c1ccccc1N1C(=O)c2c(nccc2)C1=O

InChI:

InChI=1/C14H10N2O3/c1-19-11-7-3-2-6-10(11)16-13(17)9-5-4-8-15-12(9)14(16)18/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0998 kcal/mol

Physical Properties
Molecular Weight: 254.245 g/mol	logS: -2.70375	SlogP: 1.8908	Reactive groups: 0

Topological Properties
Globularity: 0.0986766	Sterimol/B1: 2.43974	Sterimol/B2: 3.90416	Sterimol/B3: 4.08766
Sterimol/B4: 7.40436	Sterimol/L: 13.6567

Surface and Volume Properties
Accessible surface: 459.528	Positive charged surface: 282.412	Negative charged surface: 177.116	Volume: 230.875
Hydrophobic surface: 356.143	Hydrophilic surface: 103.385

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.