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MMsINC code: MMs03303723

Type: Neutral
Formula: C₂₂H₁₉NO₃

SMILES:

OC(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(cc1)C

InChI:

InChI=1/C22H19NO3/c1-15-12-13-18(22(25)26)14-19(15)23-21(24)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,23,24)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.687 kcal/mol

Physical Properties
Molecular Weight: 345.398 g/mol	logS: -5.18867	SlogP: 4.46382	Reactive groups: 0

Topological Properties
Globularity: 0.117361	Sterimol/B1: 2.91473	Sterimol/B2: 3.51638	Sterimol/B3: 4.60373
Sterimol/B4: 8.71961	Sterimol/L: 13.5648

Surface and Volume Properties
Accessible surface: 604.183	Positive charged surface: 337.47	Negative charged surface: 266.713	Volume: 336.625
Hydrophobic surface: 491.047	Hydrophilic surface: 113.136

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03303724
PUBCHEM-ZINC05547277