MMsINC Database Search


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MMsINC code: MMs00585665

Type: Neutral
Formula: C₁₅H₁₁Cl₂NO₃

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1ccccc1C(OC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8067 kcal/mol

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

Topological Properties
Globularity: 0.0340409	Sterimol/B1: 1.969	Sterimol/B2: 3.06516	Sterimol/B3: 3.23865
Sterimol/B4: 8.93232	Sterimol/L: 14.7116

Surface and Volume Properties
Accessible surface: 525.019	Positive charged surface: 261.821	Negative charged surface: 263.198	Volume: 274.75
Hydrophobic surface: 476.285	Hydrophilic surface: 48.734

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.