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MMsINC code: MMs02813588

Type: Neutral
Formula: C₁₇H₂₃N₃O₄

SMILES:

O(CC(O)CNCCN1C=C(C)C(=O)NC1=O)c1ccccc1C

InChI:

InChI=1/C17H23N3O4/c1-12-5-3-4-6-15(12)24-11-14(21)9-18-7-8-20-10-13(2)16(22)19-17(20)23/h3-6,10,14,18,21H,7-9,11H2,1-2H3,(H,19,22,23)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.1733 kcal/mol

Physical Properties
Molecular Weight: 333.388 g/mol	logS: -1.8936	SlogP: 0.77992	Reactive groups: 0

Topological Properties
Globularity: 0.0454569	Sterimol/B1: 1.969	Sterimol/B2: 3.89639	Sterimol/B3: 4.53579
Sterimol/B4: 6.82376	Sterimol/L: 19.6952

Surface and Volume Properties
Accessible surface: 628.27	Positive charged surface: 415.062	Negative charged surface: 213.209	Volume: 320.875
Hydrophobic surface: 458.708	Hydrophilic surface: 169.562

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs02813589
PUBCHEM-ZINC01532362