MMsINC Database Search


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MMsINC code: MMs02309912

Type: Neutral
Formula: C₂₂H₁₉NO₃

SMILES:

OC(CC(=O)NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H19NO3/c24-20(23-21(25)17-10-4-1-5-11-17)16-22(26,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,26H,16H2,(H,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.202 kcal/mol

Physical Properties
Molecular Weight: 345.398 g/mol	logS: -5.1335	SlogP: 3.5807	Reactive groups: 0

Topological Properties
Globularity: 0.0851793	Sterimol/B1: 3.74451	Sterimol/B2: 4.01683	Sterimol/B3: 4.21474
Sterimol/B4: 7.04792	Sterimol/L: 17.044

Surface and Volume Properties
Accessible surface: 601.134	Positive charged surface: 330.737	Negative charged surface: 270.397	Volume: 338.75
Hydrophobic surface: 519.884	Hydrophilic surface: 81.25

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.