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MMsINC code: MMs02877717

Type: Neutral
Formula: C₁₃H₁₅ClN₂O₄

SMILES:

ClCC(=O)NCC(=O)NC(Cc1ccccc1)C(O)=O

InChI:

InChI=1/C13H15ClN2O4/c14-7-11(17)15-8-12(18)16-10(13(19)20)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,17)(H,16,18)(H,19,20)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6974 kcal/mol

Physical Properties
Molecular Weight: 298.726 g/mol	logS: -2.52617	SlogP: 0.15347	Reactive groups: 1

Topological Properties
Globularity: 0.103763	Sterimol/B1: 2.53555	Sterimol/B2: 3.28661	Sterimol/B3: 3.79047
Sterimol/B4: 9.17905	Sterimol/L: 14.7822

Surface and Volume Properties
Accessible surface: 532.934	Positive charged surface: 285.919	Negative charged surface: 247.015	Volume: 263.5
Hydrophobic surface: 288.884	Hydrophilic surface: 244.05

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02877718
PUBCHEM-ZINC02159774