MMsINC Database Search


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MMsINC code: MMs01459601

Type: Neutral
Formula: C₁₇H₁₅Cl₂NO₄

SMILES:

Clc1cc(Cl)ccc1CNC(=O)COC(=O)c1ccccc1OC

InChI:

InChI=1/C17H15Cl2NO4/c1-23-15-5-3-2-4-13(15)17(22)24-10-16(21)20-9-11-6-7-12(18)8-14(11)19/h2-8H,9-10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8869 kcal/mol

Physical Properties
Molecular Weight: 368.216 g/mol	logS: -5.22604	SlogP: 3.7416	Reactive groups: 0

Topological Properties
Globularity: 0.0298414	Sterimol/B1: 2.55155	Sterimol/B2: 3.33532	Sterimol/B3: 4.87007
Sterimol/B4: 7.38677	Sterimol/L: 19.4278

Surface and Volume Properties
Accessible surface: 621.571	Positive charged surface: 329.245	Negative charged surface: 292.326	Volume: 320
Hydrophobic surface: 533.911	Hydrophilic surface: 87.66

Pharmacophoric Properties
Hydrogen bond donors: 1	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.