MMsINC Database Search


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MMsINC code: MMs03083517

Type: Neutral
Formula: C₂₃H₁₇NO₃

SMILES:

O=C1c2c(cccc2NC(=O)CCc2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C23H17NO3/c25-20(14-13-15-7-2-1-3-8-15)24-19-12-6-11-18-21(19)23(27)17-10-5-4-9-16(17)22(18)26/h1-12H,13-14H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.299 kcal/mol

Physical Properties
Molecular Weight: 355.393 g/mol	logS: -5.79838	SlogP: 4.03327	Reactive groups: 0

Topological Properties
Globularity: 0.0295439	Sterimol/B1: 3.38107	Sterimol/B2: 3.64699	Sterimol/B3: 4.1954
Sterimol/B4: 7.70799	Sterimol/L: 18.2436

Surface and Volume Properties
Accessible surface: 610.544	Positive charged surface: 341.33	Negative charged surface: 269.215	Volume: 338.875
Hydrophobic surface: 515.083	Hydrophilic surface: 95.461

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.