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MMsINC code: MMs03435853

Type: Neutral
Formula: C₂₂H₂₀N₂O₃

SMILES:

OC(=O)C(NC(=O)N(c1ccccc1)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C22H20N2O3/c25-21(26)20(16-17-10-4-1-5-11-17)23-22(27)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,23,27)(H,25,26)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.709 kcal/mol

Physical Properties
Molecular Weight: 360.413 g/mol	logS: -4.97127	SlogP: 4.23017	Reactive groups: 0

Topological Properties
Globularity: 0.352469	Sterimol/B1: 2.64644	Sterimol/B2: 4.59675	Sterimol/B3: 6.94812
Sterimol/B4: 7.58235	Sterimol/L: 14.0473

Surface and Volume Properties
Accessible surface: 606.13	Positive charged surface: 339.134	Negative charged surface: 266.997	Volume: 352
Hydrophobic surface: 502.859	Hydrophilic surface: 103.271

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03435854
PUBCHEM-ZINC05900588