MMsINC Database Search


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MMsINC code: MMs01388049

Type: Neutral
Formula: C₁₇H₁₄Cl₃NO₃

SMILES:

Clc1cc(Cl)cc(Cl)c1NC(=O)COC(=O)CCc1ccccc1

InChI:

InChI=1/C17H14Cl3NO3/c18-12-8-13(19)17(14(20)9-12)21-15(22)10-24-16(23)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2692 kcal/mol

Physical Properties
Molecular Weight: 386.662 g/mol	logS: -5.9093	SlogP: 4.76127	Reactive groups: 1

Topological Properties
Globularity: 0.0507982	Sterimol/B1: 2.91914	Sterimol/B2: 4.4383	Sterimol/B3: 4.98949
Sterimol/B4: 5.23274	Sterimol/L: 20.1921

Surface and Volume Properties
Accessible surface: 629.204	Positive charged surface: 268.807	Negative charged surface: 360.396	Volume: 327.5
Hydrophobic surface: 549.534	Hydrophilic surface: 79.67

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.