MMsINC Database Search


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MMsINC code: MMs01072611

Type: Neutral
Formula: C₁₅H₁₀N₂O₃

SMILES:

O=C1N(NC(=O)c2ccccc2)C(=O)c2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8077 kcal/mol

Physical Properties
Molecular Weight: 266.256 g/mol	logS: -3.98712	SlogP: 1.6276	Reactive groups: 0

Topological Properties
Globularity: 0.050055	Sterimol/B1: 3.13928	Sterimol/B2: 3.17326	Sterimol/B3: 3.70547
Sterimol/B4: 3.83405	Sterimol/L: 15.9754

Surface and Volume Properties
Accessible surface: 481.501	Positive charged surface: 230.084	Negative charged surface: 251.417	Volume: 241.625
Hydrophobic surface: 358.523	Hydrophilic surface: 122.978

Pharmacophoric Properties
Hydrogen bond donors: 1	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.