MMsINC Database Search


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MMsINC code: MMs03314197

Type: Neutral
Formula: C₁₄H₉Cl₂NO₃

SMILES:

Clc1cccc(Cl)c1C(=O)Nc1ccccc1C(O)=O

InChI:

InChI=1/C14H9Cl2NO3/c15-9-5-3-6-10(16)12(9)13(18)17-11-7-2-1-4-8(11)14(19)20/h1-7H,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.2882 kcal/mol

Physical Properties
Molecular Weight: 310.136 g/mol	logS: -4.79285	SlogP: 3.9439	Reactive groups: 0

Topological Properties
Globularity: 0.0740203	Sterimol/B1: 3.46907	Sterimol/B2: 4.10582	Sterimol/B3: 4.2702
Sterimol/B4: 6.22944	Sterimol/L: 14.1162

Surface and Volume Properties
Accessible surface: 491.341	Positive charged surface: 210.869	Negative charged surface: 280.472	Volume: 254.375
Hydrophobic surface: 384.698	Hydrophilic surface: 106.643

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs03314198
PUBCHEM-ZINC05583850