MMsINC Database Search


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MMsINC code: MMs01712161

Type: Neutral
Formula: C₁₉H₁₉N₃O₅

SMILES:

O(C(=O)c1ccc(NC(=O)C)cc1)CC(=O)NC(=O)NCc1ccccc1

InChI:

InChI=1/C19H19N3O5/c1-13(23)21-16-9-7-15(8-10-16)18(25)27-12-17(24)22-19(26)20-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,23)(H2,20,22,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4081 kcal/mol

Physical Properties
Molecular Weight: 369.377 g/mol	logS: -4.14506	SlogP: 2.0942	Reactive groups: 0

Topological Properties
Globularity: 0.0163715	Sterimol/B1: 2.13375	Sterimol/B2: 3.62357	Sterimol/B3: 3.72981
Sterimol/B4: 6.51912	Sterimol/L: 23.563

Surface and Volume Properties
Accessible surface: 676.188	Positive charged surface: 403.368	Negative charged surface: 272.82	Volume: 340.625
Hydrophobic surface: 476.635	Hydrophilic surface: 199.553

Pharmacophoric Properties
Hydrogen bond donors: 3	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.