MMsINC Database Search


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MMsINC code: MMs03764455

Type: Neutral
Formula: C₁₉H₁₇N₃O₅

SMILES:

O=C1N(CC(=O)Nc2ccc(cc2)C(OC)=O)C(=O)N(C1)c1ccccc1

InChI:

InChI=1/C19H17N3O5/c1-27-18(25)13-7-9-14(10-8-13)20-16(23)11-22-17(24)12-21(19(22)26)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6415 kcal/mol

Physical Properties
Molecular Weight: 367.361 g/mol	logS: -4.13052	SlogP: 1.8805	Reactive groups: 0

Topological Properties
Globularity: 0.0462768	Sterimol/B1: 2.98168	Sterimol/B2: 3.16773	Sterimol/B3: 4.31181
Sterimol/B4: 6.50594	Sterimol/L: 19.8146

Surface and Volume Properties
Accessible surface: 627.57	Positive charged surface: 390.348	Negative charged surface: 237.222	Volume: 330.25
Hydrophobic surface: 468.174	Hydrophilic surface: 159.396

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.