MMsINC Database Search


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MMsINC code: MMs02788749

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

o1c2c(nc1-c1cccc(NC(=O)c3cc(OC)ccc3)c1C)cc(cc2)C

InChI:

InChI=1/C23H20N2O3/c1-14-10-11-21-20(12-14)25-23(28-21)18-8-5-9-19(15(18)2)24-22(26)16-6-4-7-17(13-16)27-3/h4-13H,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.3 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -7.35531	SlogP: 5.37254	Reactive groups: 0

Topological Properties
Globularity: 0.0230443	Sterimol/B1: 2.39704	Sterimol/B2: 2.64379	Sterimol/B3: 3.89346
Sterimol/B4: 8.32259	Sterimol/L: 21.2657

Surface and Volume Properties
Accessible surface: 651.538	Positive charged surface: 398.71	Negative charged surface: 252.828	Volume: 360.625
Hydrophobic surface: 580.124	Hydrophilic surface: 71.414

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.