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MMsINC code: MMs02282176

Type: Neutral
Formula: C₁₄H₁₉N₃O₄

SMILES:

O(Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)N)C)C

InChI:

InChI=1/C14H19N3O4/c1-9(12(15)18)16-13(19)10(2)17-14(20)21-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)/t9-,10+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.0166 kcal/mol

Physical Properties
Molecular Weight: 293.323 g/mol	logS: -2.71338	SlogP: 0.5577	Reactive groups: 0

Topological Properties
Globularity: 0.0513765	Sterimol/B1: 2.14416	Sterimol/B2: 3.73701	Sterimol/B3: 4.87355
Sterimol/B4: 5.0311	Sterimol/L: 18.4445

Surface and Volume Properties
Accessible surface: 571.307	Positive charged surface: 353.767	Negative charged surface: 217.54	Volume: 279.625
Hydrophobic surface: 334.485	Hydrophilic surface: 236.822

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.