MMsINC Database Search


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MMsINC code: MMs02415284

Type: Neutral
Formula: C₁₄H₁₂N₂O₃

SMILES:

Oc1ccccc1C(=O)N\N=C/c1ccccc1O

InChI:

InChI=1/C14H12N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)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)=119.432 kcal/mol

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

Topological Properties
Globularity: 0.0392338	Sterimol/B1: 2.097	Sterimol/B2: 2.91975	Sterimol/B3: 3.92085
Sterimol/B4: 5.97645	Sterimol/L: 13.878

Surface and Volume Properties
Accessible surface: 472.147	Positive charged surface: 275.192	Negative charged surface: 196.954	Volume: 237.375
Hydrophobic surface: 309.129	Hydrophilic surface: 163.018

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.