MMsINC Database Search


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MMsINC code: MMs02451814

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

Oc1ccccc1C(=O)N\N=C/C=C\c1ccccc1

InChI:

InChI=1/C16H14N2O2/c19-15-11-5-4-10-14(15)16(20)18-17-12-6-9-13-7-2-1-3-8-13/h1-12,19H,(H,18,20)/b9-6-,17-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.062 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -3.68202	SlogP: 2.8212	Reactive groups: 0

Topological Properties
Globularity: 0.0156138	Sterimol/B1: 2.66437	Sterimol/B2: 2.85526	Sterimol/B3: 3.36942
Sterimol/B4: 5.04597	Sterimol/L: 16.8185

Surface and Volume Properties
Accessible surface: 511.146	Positive charged surface: 271.818	Negative charged surface: 239.329	Volume: 260
Hydrophobic surface: 398.167	Hydrophilic surface: 112.979

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.