MMsINC Database Search


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MMsINC code: MMs00446449

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

O=C1N(N(C(=O)C1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H12N2O2/c18-14-11-15(19)17(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5772 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -3.5141	SlogP: 2.3715	Reactive groups: 0

Topological Properties
Globularity: 0.15759	Sterimol/B1: 2.38815	Sterimol/B2: 2.91739	Sterimol/B3: 3.76229
Sterimol/B4: 7.73428	Sterimol/L: 11.5473

Surface and Volume Properties
Accessible surface: 447.437	Positive charged surface: 246.558	Negative charged surface: 200.879	Volume: 238
Hydrophobic surface: 367.905	Hydrophilic surface: 79.532

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.