MMsINC Database Search


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MMsINC code: MMs00177066

Type: Neutral
Formula: C₁₄H₁₂N₂O₃

SMILES:

Oc1ccccc1NC(=O)NC(=O)c1ccccc1

InChI:

InChI=1/C14H12N2O3/c17-12-9-5-4-8-11(12)15-14(19)16-13(18)10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6894 kcal/mol

Physical Properties
Molecular Weight: 256.261 g/mol	logS: -3.22145	SlogP: 2.3541	Reactive groups: 0

Topological Properties
Globularity: 0.0135128	Sterimol/B1: 2.56603	Sterimol/B2: 2.65182	Sterimol/B3: 3.78085
Sterimol/B4: 4.39667	Sterimol/L: 16.3491

Surface and Volume Properties
Accessible surface: 483.846	Positive charged surface: 269.743	Negative charged surface: 214.103	Volume: 236.625
Hydrophobic surface: 351.737	Hydrophilic surface: 132.109

Pharmacophoric Properties
Hydrogen bond donors: 3	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.