MMsINC Database Search


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MMsINC code: MMs01404525

Type: Neutral
Formula: C₂₂H₁₉N₃O₄

SMILES:

O(NC(=O)c1ccccc1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1

InChI:

InChI=1/C22H19N3O4/c26-20(15-29-25-21(27)16-9-3-1-4-10-16)24-19-14-8-7-13-18(19)22(28)23-17-11-5-2-6-12-17/h1-14H,15H2,(H,23,28)(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.971 kcal/mol

Physical Properties
Molecular Weight: 389.411 g/mol	logS: -5.75199	SlogP: 3.239	Reactive groups: 0

Topological Properties
Globularity: 0.0103164	Sterimol/B1: 2.64407	Sterimol/B2: 2.9574	Sterimol/B3: 4.92297
Sterimol/B4: 8.77723	Sterimol/L: 20.2023

Surface and Volume Properties
Accessible surface: 687.71	Positive charged surface: 376.342	Negative charged surface: 311.369	Volume: 364.5
Hydrophobic surface: 564.382	Hydrophilic surface: 123.328

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.