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MMsINC code: MMs00998164

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

OC(=O)CCc1n(CC(=O)Nc2ccccc2C)c(cc1)-c1ccc(cc1)C

InChI:

InChI=1/C23H24N2O3/c1-16-7-9-18(10-8-16)21-13-11-19(12-14-23(27)28)25(21)15-22(26)24-20-6-4-3-5-17(20)2/h3-11,13H,12,14-15H2,1-2H3,(H,24,26)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -4.81382	SlogP: 4.69421	Reactive groups: 0

Topological Properties
Globularity: 0.151895	Sterimol/B1: 3.04392	Sterimol/B2: 3.98947	Sterimol/B3: 5.51589
Sterimol/B4: 9.80833	Sterimol/L: 14.563

Surface and Volume Properties
Accessible surface: 674.072	Positive charged surface: 397.03	Negative charged surface: 277.042	Volume: 372.75
Hydrophobic surface: 549.743	Hydrophilic surface: 124.329

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00998165
CHEMDIV-ZINC06205352