MMsINC Database Search


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MMsINC code: MMs00139559

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O1c2cc(NC(=O)Cn3c4c(cccc4)c(C=O)c3C)ccc2OC1

InChI:

InChI=1/C19H16N2O4/c1-12-15(10-22)14-4-2-3-5-16(14)21(12)9-19(23)20-13-6-7-17-18(8-13)25-11-24-17/h2-8,10H,9,11H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6568 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -3.83982	SlogP: 3.39602	Reactive groups: 1

Topological Properties
Globularity: 0.0853014	Sterimol/B1: 2.23342	Sterimol/B2: 3.72864	Sterimol/B3: 3.86647
Sterimol/B4: 8.30098	Sterimol/L: 16.5873

Surface and Volume Properties
Accessible surface: 571.217	Positive charged surface: 345.222	Negative charged surface: 220.682	Volume: 308.625
Hydrophobic surface: 422.554	Hydrophilic surface: 148.663

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.