MMsINC Database Search


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MMsINC code: MMs02799213

Type: Neutral
Formula: C₁₉H₂₃N₃O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)Nc1cnc(NC(=O)CC)cc1C

InChI:

InChI=1/C19H23N3O5/c1-6-17(23)22-16-7-11(2)13(10-20-16)21-19(24)12-8-14(25-3)18(27-5)15(9-12)26-4/h7-10H,6H2,1-5H3,(H,21,24)(H,20,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.869 kcal/mol

Physical Properties
Molecular Weight: 373.409 g/mol	logS: -3.13082	SlogP: 3.01662	Reactive groups: 0

Topological Properties
Globularity: 0.0229998	Sterimol/B1: 2.81599	Sterimol/B2: 3.67324	Sterimol/B3: 4.47216
Sterimol/B4: 7.24369	Sterimol/L: 20.3697

Surface and Volume Properties
Accessible surface: 667.184	Positive charged surface: 519.019	Negative charged surface: 148.166	Volume: 354.25
Hydrophobic surface: 531.268	Hydrophilic surface: 135.916

Pharmacophoric Properties
Hydrogen bond donors: 2	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.