MMsINC Database Search


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MMsINC code: MMs02239460

Type: Neutral
Formula: C₁₅H₁₂N₂O₃

SMILES:

O1C(c2ccccc2)(c2ccccc2)C(=O)N(N)C1=O

InChI:

InChI=1/C15H12N2O3/c16-17-13(18)15(20-14(17)19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3725 kcal/mol

Physical Properties
Molecular Weight: 268.272 g/mol	logS: -3.89181	SlogP: 2.0942	Reactive groups: 0

Topological Properties
Globularity: 0.348194	Sterimol/B1: 2.85999	Sterimol/B2: 3.59479	Sterimol/B3: 3.96797
Sterimol/B4: 7.54216	Sterimol/L: 11.7242

Surface and Volume Properties
Accessible surface: 470.802	Positive charged surface: 243.699	Negative charged surface: 227.103	Volume: 243.875
Hydrophobic surface: 328.319	Hydrophilic surface: 142.483

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.