MMsINC Database Search


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MMsINC code: MMs02900397

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₄

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NCc1cc(OC)c(OC)cc1

InChI:

InChI=1/C20H19ClN2O4/c1-12-18(19(23-27-12)14-6-4-5-7-15(14)21)20(24)22-11-13-8-9-16(25-2)17(10-13)26-3/h4-10H,11H2,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0504 kcal/mol

Physical Properties
Molecular Weight: 386.835 g/mol	logS: -5.48888	SlogP: 4.51702	Reactive groups: 0

Topological Properties
Globularity: 0.119151	Sterimol/B1: 2.23357	Sterimol/B2: 4.20448	Sterimol/B3: 4.96024
Sterimol/B4: 10.3047	Sterimol/L: 14.9808

Surface and Volume Properties
Accessible surface: 646.463	Positive charged surface: 389.404	Negative charged surface: 257.059	Volume: 353.75
Hydrophobic surface: 572.334	Hydrophilic surface: 74.129

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.