MMsINC Database Search


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MMsINC code: MMs03677765

Type: Neutral
Formula: C₂₀H₂₀Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1NC(=O)C1CCN(CC1)C(=O)Cc1ccccc1

InChI:

InChI=1/C20H20Cl2N2O2/c21-16-7-4-8-17(22)19(16)23-20(26)15-9-11-24(12-10-15)18(25)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7757 kcal/mol

Physical Properties
Molecular Weight: 391.298 g/mol	logS: -5.26036	SlogP: 4.41317	Reactive groups: 0

Topological Properties
Globularity: 0.0453081	Sterimol/B1: 3.01338	Sterimol/B2: 3.69433	Sterimol/B3: 3.81625
Sterimol/B4: 5.548	Sterimol/L: 19.6813

Surface and Volume Properties
Accessible surface: 631.255	Positive charged surface: 340.462	Negative charged surface: 290.793	Volume: 354.125
Hydrophobic surface: 576.081	Hydrophilic surface: 55.174

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.