MMsINC Database Search


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MMsINC code: MMs00773914

Type: Neutral
Formula: C₁₄H₁₂N₂O₃

SMILES:

OC(=O)c1ccccc1NC(=O)c1cc(N)ccc1

InChI:

InChI=1/C14H12N2O3/c15-10-5-3-4-9(8-10)13(17)16-12-7-2-1-6-11(12)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2632 kcal/mol

Physical Properties
Molecular Weight: 256.261 g/mol	logS: -3.04515	SlogP: 2.2193	Reactive groups: 0

Topological Properties
Globularity: 0.0141016	Sterimol/B1: 2.49948	Sterimol/B2: 2.50403	Sterimol/B3: 3.36492
Sterimol/B4: 6.37927	Sterimol/L: 14.4595

Surface and Volume Properties
Accessible surface: 465.308	Positive charged surface: 272.066	Negative charged surface: 193.242	Volume: 234.625
Hydrophobic surface: 290.166	Hydrophilic surface: 175.142

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00773915
CHEMBRIDGE-ZINC04638849