MMsINC Database Search


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MMsINC code: MMs03358062

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O(C)c1cc(ccc1O)\C=N\NC(=O)c1ccc2c(cccc2)c1O

InChI:

InChI=1/C19H16N2O4/c1-25-17-10-12(6-9-16(17)22)11-20-21-19(24)15-8-7-13-4-2-3-5-14(13)18(15)23/h2-11,22-23H,1H3,(H,21,24)/b20-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.501 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -4.74251	SlogP: 3.0235	Reactive groups: 0

Topological Properties
Globularity: 0.00260192	Sterimol/B1: 2.0961	Sterimol/B2: 2.36418	Sterimol/B3: 2.38516
Sterimol/B4: 6.99374	Sterimol/L: 19.1868

Surface and Volume Properties
Accessible surface: 603.667	Positive charged surface: 376.035	Negative charged surface: 216.527	Volume: 313.125
Hydrophobic surface: 439.114	Hydrophilic surface: 164.553

Pharmacophoric Properties
Hydrogen bond donors: 3	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: no related molecules available.