MMsINC Database Search


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MMsINC code: MMs01524924

Type: Neutral
Formula: C₁₇H₁₈ClNO₄

SMILES:

Clc1cc(cc(OC)c1OC)C(=O)NCc1ccccc1OC

InChI:

InChI=1/C17H18ClNO4/c1-21-14-7-5-4-6-11(14)10-19-17(20)12-8-13(18)16(23-3)15(9-12)22-2/h4-9H,10H2,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4632 kcal/mol

Physical Properties
Molecular Weight: 335.787 g/mol	logS: -4.18434	SlogP: 3.5622	Reactive groups: 0

Topological Properties
Globularity: 0.102837	Sterimol/B1: 2.37178	Sterimol/B2: 3.16247	Sterimol/B3: 6.03015
Sterimol/B4: 6.53753	Sterimol/L: 15.7086

Surface and Volume Properties
Accessible surface: 598.126	Positive charged surface: 403.497	Negative charged surface: 194.63	Volume: 310
Hydrophobic surface: 536.568	Hydrophilic surface: 61.558

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.