MMsINC Database Search


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MMsINC code: MMs00509385

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O=C1N(c2ccccc2C)C(=O)c2c1cc(cc2)C(=O)Nc1ccccc1C

InChI:

InChI=1/C23H18N2O3/c1-14-7-3-5-9-19(14)24-21(26)16-11-12-17-18(13-16)23(28)25(22(17)27)20-10-6-4-8-15(20)2/h3-13H,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.929 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -6.04952	SlogP: 4.35634	Reactive groups: 0

Topological Properties
Globularity: 0.0399489	Sterimol/B1: 2.19076	Sterimol/B2: 3.98135	Sterimol/B3: 4.2071
Sterimol/B4: 6.80143	Sterimol/L: 20.0535

Surface and Volume Properties
Accessible surface: 629.781	Positive charged surface: 330.21	Negative charged surface: 299.571	Volume: 352.875
Hydrophobic surface: 534.512	Hydrophilic surface: 95.269

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.