MMsINC Database Search


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MMsINC code: MMs01280781

Type: Neutral
Formula: C₂₀H₂₀ClNO₅

SMILES:

Clc1ccc(cc1)C(=O)CCC(OCC(=O)NCc1ccccc1OC)=O

InChI:

InChI=1/C20H20ClNO5/c1-26-18-5-3-2-4-15(18)12-22-19(24)13-27-20(25)11-10-17(23)14-6-8-16(21)9-7-14/h2-9H,10-13H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.611 kcal/mol

Physical Properties
Molecular Weight: 389.835 g/mol	logS: -4.58694	SlogP: 3.4375	Reactive groups: 1

Topological Properties
Globularity: 0.0362432	Sterimol/B1: 2.06408	Sterimol/B2: 2.20018	Sterimol/B3: 5.07115
Sterimol/B4: 6.7459	Sterimol/L: 22.941

Surface and Volume Properties
Accessible surface: 694.585	Positive charged surface: 410.591	Negative charged surface: 283.994	Volume: 359.125
Hydrophobic surface: 565.635	Hydrophilic surface: 128.95

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.