MMsINC Database Search


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MMsINC code: MMs02887094

Type: Neutral
Formula: C₁₉H₁₇N₃O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)N\N=C\C1=Cc2c(NC1=O)cccc2

InChI:

InChI=1/C19H17N3O4/c1-25-16-8-7-13(10-17(16)26-2)19(24)22-20-11-14-9-12-5-3-4-6-15(12)21-18(14)23/h3-11H,1-2H3,(H,21,23)(H,22,24)/b20-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.602 kcal/mol

Physical Properties
Molecular Weight: 351.362 g/mol	logS: -4.50525	SlogP: 2.4551	Reactive groups: 0

Topological Properties
Globularity: 0.00253359	Sterimol/B1: 1.969	Sterimol/B2: 2.37369	Sterimol/B3: 2.38039
Sterimol/B4: 7.5852	Sterimol/L: 20.3065

Surface and Volume Properties
Accessible surface: 628.647	Positive charged surface: 424.733	Negative charged surface: 203.914	Volume: 327.375
Hydrophobic surface: 476.207	Hydrophilic surface: 152.44

Pharmacophoric Properties
Hydrogen bond donors: 2	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.