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MMsINC code: MMs00570178

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

OC(=O)CC(NC(=O)Nc1ccccc1)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C20H24N2O3/c1-20(2,3)15-11-9-14(10-12-15)17(13-18(23)24)22-19(25)21-16-7-5-4-6-8-16/h4-12,17H,13H2,1-3H3,(H,23,24)(H2,21,22,25)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6821 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -5.09343	SlogP: 4.4171	Reactive groups: 0

Topological Properties
Globularity: 0.078606	Sterimol/B1: 3.74799	Sterimol/B2: 3.84919	Sterimol/B3: 4.34453
Sterimol/B4: 6.48481	Sterimol/L: 18.2979

Surface and Volume Properties
Accessible surface: 623.572	Positive charged surface: 385.814	Negative charged surface: 237.759	Volume: 339.5
Hydrophobic surface: 438.141	Hydrophilic surface: 185.431

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00570179
CHEMBLOCK-ZINC04694322