MMsINC Database Search


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MMsINC code: MMs00632288

Type: Neutral
Formula: C₁₅H₁₁Cl₂NO₃

SMILES:

Clc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(OC)=O

InChI:

InChI=1/C15H11Cl2NO3/c1-21-15(20)12-8-11(6-7-13(12)17)18-14(19)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8804 kcal/mol

Physical Properties
Molecular Weight: 324.163 g/mol	logS: -5.20518	SlogP: 4.0323	Reactive groups: 0

Topological Properties
Globularity: 0.0239445	Sterimol/B1: 2.35852	Sterimol/B2: 2.43289	Sterimol/B3: 3.18069
Sterimol/B4: 8.29679	Sterimol/L: 16.286

Surface and Volume Properties
Accessible surface: 536.788	Positive charged surface: 263.368	Negative charged surface: 273.42	Volume: 276
Hydrophobic surface: 468.874	Hydrophilic surface: 67.914

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.