MMsINC Database Search


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MMsINC code: MMs01429909

Type: Neutral
Formula: C₁₉H₁₅N₃O₄

SMILES:

O(C)c1ccccc1C(=O)Nc1ccc(OC(=O)c2nccnc2)cc1

InChI:

InChI=1/C19H15N3O4/c1-25-17-5-3-2-4-15(17)18(23)22-13-6-8-14(9-7-13)26-19(24)16-12-20-10-11-21-16/h2-12H,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.283 kcal/mol

Physical Properties
Molecular Weight: 349.346 g/mol	logS: -3.15595	SlogP: 2.9567	Reactive groups: 0

Topological Properties
Globularity: 0.0278454	Sterimol/B1: 2.43388	Sterimol/B2: 3.4366	Sterimol/B3: 3.75601
Sterimol/B4: 7.39425	Sterimol/L: 20.2203

Surface and Volume Properties
Accessible surface: 616.114	Positive charged surface: 419.677	Negative charged surface: 196.437	Volume: 320
Hydrophobic surface: 508.859	Hydrophilic surface: 107.255

Pharmacophoric Properties
Hydrogen bond donors: 1	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.