MMsINC Database Search


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MMsINC code: MMs01959761

Type: Neutral
Formula: C₁₉H₁₇N₃O₅

SMILES:

O=C1N(C(C(=O)Nc2ccc(cc2)C(OC)=O)C)C(=O)Nc2c1cccc2

InChI:

InChI=1/C19H17N3O5/c1-11(16(23)20-13-9-7-12(8-10-13)18(25)27-2)22-17(24)14-5-3-4-6-15(14)21-19(22)26/h3-11H,1-2H3,(H,20,23)(H,21,26)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3921 kcal/mol

Physical Properties
Molecular Weight: 367.361 g/mol	logS: -4.53728	SlogP: 2.4881	Reactive groups: 0

Topological Properties
Globularity: 0.0585837	Sterimol/B1: 2.24569	Sterimol/B2: 2.27656	Sterimol/B3: 5.35036
Sterimol/B4: 7.31646	Sterimol/L: 18.6884

Surface and Volume Properties
Accessible surface: 611.502	Positive charged surface: 374.096	Negative charged surface: 237.406	Volume: 328.125
Hydrophobic surface: 439.986	Hydrophilic surface: 171.516

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.