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MMsINC code: MMs00911332

Type: Neutral
Formula: C₂₀H₂₃N₃O₄

SMILES:

O(C)c1ccc(NC(=O)C(N(C(=O)CNC(=O)C)C)c2ccccc2)cc1

InChI:

InChI=1/C20H23N3O4/c1-14(24)21-13-18(25)23(2)19(15-7-5-4-6-8-15)20(26)22-16-9-11-17(27-3)12-10-16/h4-12,19H,13H2,1-3H3,(H,21,24)(H,22,26)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.362 kcal/mol

Physical Properties
Molecular Weight: 369.421 g/mol	logS: -3.65176	SlogP: 2.065	Reactive groups: 0

Topological Properties
Globularity: 0.0556865	Sterimol/B1: 2.61821	Sterimol/B2: 2.6953	Sterimol/B3: 4.23433
Sterimol/B4: 9.80875	Sterimol/L: 19.4257

Surface and Volume Properties
Accessible surface: 650.547	Positive charged surface: 433.501	Negative charged surface: 217.046	Volume: 357.375
Hydrophobic surface: 528.42	Hydrophilic surface: 122.127

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: no related molecules available.