MMsINC Database Search


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MMsINC code: MMs01181182

Type: Neutral
Formula: C₂₂H₂₀N₂O₃

SMILES:

o1cccc1CN(C(=O)CN1Cc2c(cccc2)C1=O)c1ccccc1C

InChI:

InChI=1/C22H20N2O3/c1-16-7-2-5-11-20(16)24(14-18-9-6-12-27-18)21(25)15-23-13-17-8-3-4-10-19(17)22(23)26/h2-12H,13-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.808 kcal/mol

Physical Properties
Molecular Weight: 360.413 g/mol	logS: -5.1178	SlogP: 4.31002	Reactive groups: 0

Topological Properties
Globularity: 0.128795	Sterimol/B1: 2.4609	Sterimol/B2: 5.72692	Sterimol/B3: 5.98751
Sterimol/B4: 6.30137	Sterimol/L: 15.3449

Surface and Volume Properties
Accessible surface: 604.816	Positive charged surface: 347.847	Negative charged surface: 256.969	Volume: 351.25
Hydrophobic surface: 527.972	Hydrophilic surface: 76.844

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.