MMsINC Database Search


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MMsINC code: MMs00352184

Type: Neutral
Formula: C₁₈H₁₆N₂O₅

SMILES:

O(C)c1cc(ccc1OC)C(O\N=C/1\c2c(N(C)C\1=O)cccc2)=O

InChI:

InChI=1/C18H16N2O5/c1-20-13-7-5-4-6-12(13)16(17(20)21)19-25-18(22)11-8-9-14(23-2)15(10-11)24-3/h4-10H,1-3H3/b19-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.15 kcal/mol

Physical Properties
Molecular Weight: 340.335 g/mol	logS: -4.32672	SlogP: 2.2413	Reactive groups: 0

Topological Properties
Globularity: 0.00611813	Sterimol/B1: 2.37718	Sterimol/B2: 2.51293	Sterimol/B3: 3.54831
Sterimol/B4: 6.45883	Sterimol/L: 16.5176

Surface and Volume Properties
Accessible surface: 587.116	Positive charged surface: 390.666	Negative charged surface: 196.45	Volume: 308.75
Hydrophobic surface: 458.028	Hydrophilic surface: 129.088

Pharmacophoric Properties
Hydrogen bond donors: 0	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.