MMsINC Database Search


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MMsINC code: MMs02624840

Type: Neutral
Formula: C₁₆H₉Cl₂NO₃

SMILES:

Clc1ccc(cc1)C(=O)CC1=Nc2cc(Cl)ccc2OC1=O

InChI:

InChI=1/C16H9Cl2NO3/c17-10-3-1-9(2-4-10)14(20)8-13-16(21)22-15-6-5-11(18)7-12(15)19-13/h1-7H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.3728 kcal/mol

Physical Properties
Molecular Weight: 334.158 g/mol	logS: -6.19701	SlogP: 4.2579	Reactive groups: 0

Topological Properties
Globularity: 0.00557	Sterimol/B1: 2.25011	Sterimol/B2: 2.52972	Sterimol/B3: 3.75816
Sterimol/B4: 6.50261	Sterimol/L: 17.3729

Surface and Volume Properties
Accessible surface: 531.899	Positive charged surface: 214.805	Negative charged surface: 317.094	Volume: 276.875
Hydrophobic surface: 438.591	Hydrophilic surface: 93.308

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.