MMsINC Database Search


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MMsINC code: MMs01227495

Type: Neutral
Formula: C₁₄H₁₂N₂O₃

SMILES:

Oc1ccccc1C(=O)N\N=C\c1ccc(O)cc1

InChI:

InChI=1/C14H12N2O3/c17-11-7-5-10(6-8-11)9-15-16-14(19)12-3-1-2-4-13(12)18/h1-9,17-18H,(H,16,19)/b15-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6724 kcal/mol

Physical Properties
Molecular Weight: 256.261 g/mol	logS: -2.81425	SlogP: 1.8617	Reactive groups: 0

Topological Properties
Globularity: 0.0023201	Sterimol/B1: 2.16813	Sterimol/B2: 2.25393	Sterimol/B3: 2.53288
Sterimol/B4: 5.79739	Sterimol/L: 17.016

Surface and Volume Properties
Accessible surface: 497.208	Positive charged surface: 284.126	Negative charged surface: 213.082	Volume: 239.5
Hydrophobic surface: 333.769	Hydrophilic surface: 163.439

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.