MMsINC Database Search


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MMsINC code: MMs01680747

Type: Neutral
Formula: C₁₉H₁₅N₃O₅

SMILES:

O1c2cc(C(=O)C)c(NC(=O)COc3ncnc4c3cccc4)cc2OC1

InChI:

InChI=1/C19H15N3O5/c1-11(23)13-6-16-17(27-10-26-16)7-15(13)22-18(24)8-25-19-12-4-2-3-5-14(12)20-9-21-19/h2-7,9H,8,10H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.2063 kcal/mol

Physical Properties
Molecular Weight: 365.345 g/mol	logS: -4.75986	SlogP: 2.5786	Reactive groups: 0

Topological Properties
Globularity: 0.0280374	Sterimol/B1: 2.44685	Sterimol/B2: 2.5265	Sterimol/B3: 4.10012
Sterimol/B4: 8.61476	Sterimol/L: 17.272

Surface and Volume Properties
Accessible surface: 604.519	Positive charged surface: 392.063	Negative charged surface: 207.049	Volume: 323.875
Hydrophobic surface: 410.21	Hydrophilic surface: 194.309

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.