MMsINC Database Search


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MMsINC code: MMs01499396

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

O(C(=O)c1ccccc1NC(=O)c1ccccc1)CC(=O)Nc1ccccc1

InChI:

InChI=1/C22H18N2O4/c25-20(23-17-11-5-2-6-12-17)15-28-22(27)18-13-7-8-14-19(18)24-21(26)16-9-3-1-4-10-16/h1-14H,15H2,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.956 kcal/mol

Physical Properties
Molecular Weight: 374.396 g/mol	logS: -5.73303	SlogP: 3.7344	Reactive groups: 0

Topological Properties
Globularity: 0.0144581	Sterimol/B1: 2.45699	Sterimol/B2: 2.65954	Sterimol/B3: 2.94463
Sterimol/B4: 10.1448	Sterimol/L: 20.0332

Surface and Volume Properties
Accessible surface: 653.134	Positive charged surface: 369.917	Negative charged surface: 283.217	Volume: 351.375
Hydrophobic surface: 555.135	Hydrophilic surface: 97.999

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.