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MMsINC code: MMs00484251

Type: Neutral
Formula: C₁₅H₁₉N₃O₆

SMILES:

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

InChI:

InChI=1/C15H19N3O6/c16-12(19)7-6-11(14(21)22)18-13(20)8-17-15(23)24-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,16,19)(H,17,23)(H,18,20)(H,21,22)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.0212 kcal/mol

Physical Properties
Molecular Weight: 337.332 g/mol	logS: -2.13849	SlogP: 0.0141	Reactive groups: 0

Topological Properties
Globularity: 0.0385811	Sterimol/B1: 2.25818	Sterimol/B2: 4.90928	Sterimol/B3: 5.00763
Sterimol/B4: 5.60426	Sterimol/L: 19.3402

Surface and Volume Properties
Accessible surface: 623.811	Positive charged surface: 391.203	Negative charged surface: 232.608	Volume: 304.875
Hydrophobic surface: 315.714	Hydrophilic surface: 308.097

Pharmacophoric Properties
Hydrogen bond donors: 5	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

MMs00484252
BACHEM-ZINC02561184