MMsINC Database Search


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MMsINC code: MMs00587243

Type: Neutral
Formula: C₁₅H₁₀N₂O₃

SMILES:

O=C1NC(=O)c2c1c(ccc2)C(=O)Nc1ccccc1

InChI:

InChI=1/C15H10N2O3/c18-13(16-9-5-2-1-3-6-9)10-7-4-8-11-12(10)15(20)17-14(11)19/h1-8H,(H,16,18)(H,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.6246 kcal/mol

Physical Properties
Molecular Weight: 266.256 g/mol	logS: -4.01071	SlogP: 1.8225	Reactive groups: 0

Topological Properties
Globularity: 0.0158765	Sterimol/B1: 2.56313	Sterimol/B2: 2.77039	Sterimol/B3: 3.84645
Sterimol/B4: 5.4103	Sterimol/L: 15.0609

Surface and Volume Properties
Accessible surface: 464.775	Positive charged surface: 251.562	Negative charged surface: 213.213	Volume: 238.125
Hydrophobic surface: 310.578	Hydrophilic surface: 154.197

Pharmacophoric Properties
Hydrogen bond donors: 2	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.