MMsINC Database Search


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MMsINC code: MMs01238433

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O=C1N(CCC(=O)Nc2ccccc2-c2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C23H18N2O3/c26-21(14-15-25-22(27)18-11-4-5-12-19(18)23(25)28)24-20-13-7-6-10-17(20)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2162 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -6.23946	SlogP: 3.9784	Reactive groups: 0

Topological Properties
Globularity: 0.0468689	Sterimol/B1: 2.55457	Sterimol/B2: 3.57824	Sterimol/B3: 4.1248
Sterimol/B4: 9.51502	Sterimol/L: 17.6912

Surface and Volume Properties
Accessible surface: 643.859	Positive charged surface: 347.86	Negative charged surface: 292.041	Volume: 353.75
Hydrophobic surface: 537.102	Hydrophilic surface: 106.757

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.