MMsINC Database Search


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MMsINC code: MMs03518132

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)=107.908 kcal/mol

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

Topological Properties
Globularity: 0.0207155	Sterimol/B1: 2.53636	Sterimol/B2: 2.76066	Sterimol/B3: 3.0039
Sterimol/B4: 7.06963	Sterimol/L: 15.8975

Surface and Volume Properties
Accessible surface: 519.07	Positive charged surface: 280.957	Negative charged surface: 238.113	Volume: 263.375
Hydrophobic surface: 413.098	Hydrophilic surface: 105.972

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.