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MMsINC code: MMs00275329

Type: Neutral
Formula: C₁₉H₂₃NO₄

SMILES:

o1c(C)c(cc1C(C)(C)C)C(=O)NC(Cc1ccccc1)C(O)=O

InChI:

InChI=1/C19H23NO4/c1-12-14(11-16(24-12)19(2,3)4)17(21)20-15(18(22)23)10-13-8-6-5-7-9-13/h5-9,11,15H,10H2,1-4H3,(H,20,21)(H,22,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4292 kcal/mol

Physical Properties
Molecular Weight: 329.396 g/mol	logS: -4.18696	SlogP: 3.31119	Reactive groups: 0

Topological Properties
Globularity: 0.176829	Sterimol/B1: 2.32042	Sterimol/B2: 2.69666	Sterimol/B3: 6.5351
Sterimol/B4: 8.23298	Sterimol/L: 14.321

Surface and Volume Properties
Accessible surface: 600.058	Positive charged surface: 360.205	Negative charged surface: 239.852	Volume: 329.5
Hydrophobic surface: 436.67	Hydrophilic surface: 163.388

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00275330
ASINEX-ZINC02578343