MMsINC Database Search


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MMsINC code: MMs00429131

Type: Neutral
Formula: C₁₉H₁₇N₃O₅

SMILES:

O=C1N(C)C(=O)N(c2c1cccc2)CC(=O)Nc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C19H17N3O5/c1-21-17(24)14-5-3-4-6-15(14)22(19(21)26)11-16(23)20-13-9-7-12(8-10-13)18(25)27-2/h3-10H,11H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.362 kcal/mol

Physical Properties
Molecular Weight: 367.361 g/mol	logS: -4.10408	SlogP: 2.1239	Reactive groups: 0

Topological Properties
Globularity: 0.114079	Sterimol/B1: 2.17157	Sterimol/B2: 2.26819	Sterimol/B3: 5.9443
Sterimol/B4: 8.18022	Sterimol/L: 16.8327

Surface and Volume Properties
Accessible surface: 612.192	Positive charged surface: 402.892	Negative charged surface: 209.299	Volume: 331
Hydrophobic surface: 466.088	Hydrophilic surface: 146.104

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.