MMsINC Database Search


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MMsINC code: MMs00149399

Type: Ionized
Formula: C₁₄H₆Cl₄NO₃-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.6806 kcal/mol

Physical Properties
Molecular Weight: 378.018 g/mol	logS: -6.52188	SlogP: 3.916	Reactive groups: 0

Topological Properties
Globularity: 0.028752	Sterimol/B1: 3.17637	Sterimol/B2: 3.4255	Sterimol/B3: 4.62114
Sterimol/B4: 4.81968	Sterimol/L: 15.7781

Surface and Volume Properties
Accessible surface: 532.328	Positive charged surface: 142.168	Negative charged surface: 390.159	Volume: 285.25
Hydrophobic surface: 441.25	Hydrophilic surface: 91.078

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs00149398
ASINEX-ZINC00705303