MMsINC Database Search


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MMsINC code: MMs00829159

Type: Neutral
Formula: C₁₆H₁₂N₂O₂

SMILES:

O=C1N2N(Cc3c1cccc3)C(=O)c1c(C2)cccc1

InChI:

InChI=1/C16H12N2O2/c19-15-13-7-3-1-5-11(13)9-17-16(20)14-8-4-2-6-12(14)10-18(15)17/h1-8H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0003 kcal/mol

Physical Properties
Molecular Weight: 264.284 g/mol	logS: -3.61622	SlogP: 2.7462	Reactive groups: 0

Topological Properties
Globularity: 0.0574973	Sterimol/B1: 2.39868	Sterimol/B2: 3.84591	Sterimol/B3: 4.03733
Sterimol/B4: 4.93921	Sterimol/L: 14.2455

Surface and Volume Properties
Accessible surface: 460.127	Positive charged surface: 259.392	Negative charged surface: 200.735	Volume: 245.25
Hydrophobic surface: 378.767	Hydrophilic surface: 81.36

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.