MMsINC Database Search


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MMsINC code: MMs02570809

Type: Neutral
Formula: C₂₂H₂₄ClNO₅

SMILES:

Clc1cc(NC(=O)c2ccc(OCC(OC3CCCCC3)=O)cc2)ccc1OC

InChI:

InChI=1/C22H24ClNO5/c1-27-20-12-9-16(13-19(20)23)24-22(26)15-7-10-17(11-8-15)28-14-21(25)29-18-5-3-2-4-6-18/h7-13,18H,2-6,14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.738 kcal/mol

Physical Properties
Molecular Weight: 417.889 g/mol	logS: -6.06923	SlogP: 4.8556	Reactive groups: 1

Topological Properties
Globularity: 0.0168582	Sterimol/B1: 2.37215	Sterimol/B2: 3.45036	Sterimol/B3: 3.901
Sterimol/B4: 6.44075	Sterimol/L: 24.7257

Surface and Volume Properties
Accessible surface: 722.39	Positive charged surface: 457.565	Negative charged surface: 264.824	Volume: 384
Hydrophobic surface: 637.453	Hydrophilic surface: 84.937

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.