MMsINC Database Search


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MMsINC code: MMs02342960

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O(C)c1cc(N(C(=O)C)c2ccc(cc2)C(O)=O)c2ncccc2c1

InChI:

InChI=1/C19H16N2O4/c1-12(22)21(15-7-5-13(6-8-15)19(23)24)17-11-16(25-2)10-14-4-3-9-20-18(14)17/h3-11H,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.196 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -3.92052	SlogP: 3.6262	Reactive groups: 0

Topological Properties
Globularity: 0.23952	Sterimol/B1: 2.21662	Sterimol/B2: 4.84391	Sterimol/B3: 6.0469
Sterimol/B4: 7.01268	Sterimol/L: 15.0278

Surface and Volume Properties
Accessible surface: 567.271	Positive charged surface: 357.981	Negative charged surface: 204.924	Volume: 313.875
Hydrophobic surface: 422.396	Hydrophilic surface: 144.875

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs02342961
NCID-ZINC01717556