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MMsINC code: MMs00896251

Type: Neutral
Formula: C₁₅H₁₄ClNO₄

SMILES:

Clc1ccc(cc1N1C(=O)C2C(CCCC2)C1=O)C(O)=O

InChI:

InChI=1/C15H14ClNO4/c16-11-6-5-8(15(20)21)7-12(11)17-13(18)9-3-1-2-4-10(9)14(17)19/h5-7,9-10H,1-4H2,(H,20,21)/t9-,10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6252 kcal/mol

Physical Properties
Molecular Weight: 307.733 g/mol	logS: -3.8166	SlogP: 2.7178	Reactive groups: 0

Topological Properties
Globularity: 0.0999059	Sterimol/B1: 3.45327	Sterimol/B2: 3.55174	Sterimol/B3: 4.50322
Sterimol/B4: 5.20216	Sterimol/L: 14.3859

Surface and Volume Properties
Accessible surface: 477.892	Positive charged surface: 264.809	Negative charged surface: 213.083	Volume: 264.125
Hydrophobic surface: 323.017	Hydrophilic surface: 154.875

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs00896252
CHEMDIV-ZINC02944711