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MMsINC code: MMs03167187

Type: Neutral
Formula: C₁₄H₁₈N₂O₅

SMILES:

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

InChI:

InChI=1/C14H18N2O5/c1-10(13(18)19)15-12(17)8-16(2)14(20)21-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,17)(H,18,19)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.5165 kcal/mol

Physical Properties
Molecular Weight: 294.307 g/mol	logS: -1.99746	SlogP: 1.1107	Reactive groups: 0

Topological Properties
Globularity: 0.069059	Sterimol/B1: 2.23464	Sterimol/B2: 3.55148	Sterimol/B3: 4.76364
Sterimol/B4: 5.02184	Sterimol/L: 17.862

Surface and Volume Properties
Accessible surface: 563.407	Positive charged surface: 370.459	Negative charged surface: 192.947	Volume: 276.5
Hydrophobic surface: 374.859	Hydrophilic surface: 188.548

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03167188
PUBCHEM-ZINC04760810