MMsINC Database Search


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MMsINC code: MMs00733915

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O(CC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1C)c1ccccc1

InChI:

InChI=1/C23H22N2O3/c1-17-14-19(24-22(26)15-18-8-4-2-5-9-18)12-13-21(17)25-23(27)16-28-20-10-6-3-7-11-20/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.095 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -5.62362	SlogP: 4.19369	Reactive groups: 0

Topological Properties
Globularity: 0.026312	Sterimol/B1: 2.17922	Sterimol/B2: 3.23149	Sterimol/B3: 4.31616
Sterimol/B4: 9.46502	Sterimol/L: 20.6336

Surface and Volume Properties
Accessible surface: 690.66	Positive charged surface: 414.891	Negative charged surface: 275.769	Volume: 368.25
Hydrophobic surface: 605.791	Hydrophilic surface: 84.869

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.