MMsINC Database Search


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MMsINC code: MMs00149398

Type: Neutral
Formula: C₁₄H₇Cl₄NO₃

SMILES:

Clc1ccc(Cl)cc1NC(=O)c1cc(Cl)c(Cl)cc1C(O)=O

InChI:

InChI=1/C14H7Cl4NO3/c15-6-1-2-9(16)12(3-6)19-13(20)7-4-10(17)11(18)5-8(7)14(21)22/h1-5H,(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4973 kcal/mol

Physical Properties
Molecular Weight: 379.026 g/mol	logS: -6.26143	SlogP: 5.2507	Reactive groups: 0

Topological Properties
Globularity: 0.102076	Sterimol/B1: 4.65755	Sterimol/B2: 4.84106	Sterimol/B3: 5.24673
Sterimol/B4: 5.53141	Sterimol/L: 15.4131

Surface and Volume Properties
Accessible surface: 544.832	Positive charged surface: 170.099	Negative charged surface: 374.733	Volume: 283.5
Hydrophobic surface: 441.374	Hydrophilic surface: 103.458

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs00149399
ASINEX-ZINC00705303