MMsINC Database Search


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MMsINC code: MMs02633043

Type: Neutral
Formula: C₁₉H₁₄N₂O₃

SMILES:

OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ncccc1

InChI:

InChI=1/C19H14N2O3/c22-18(21-17-11-5-6-12-20-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)19(23)24/h1-12H,(H,23,24)(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.799 kcal/mol

Physical Properties
Molecular Weight: 318.332 g/mol	logS: -4.80377	SlogP: 3.6991	Reactive groups: 0

Topological Properties
Globularity: 0.145511	Sterimol/B1: 3.19539	Sterimol/B2: 3.79103	Sterimol/B3: 4.94362
Sterimol/B4: 8.94276	Sterimol/L: 13.3134

Surface and Volume Properties
Accessible surface: 532.71	Positive charged surface: 323.554	Negative charged surface: 207.771	Volume: 297.25
Hydrophobic surface: 438.347	Hydrophilic surface: 94.363

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

MMs02633044
PUBCHEM-ZINC00107146