MMsINC Database Search


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MMsINC code: MMs00742906

Type: Neutral
Formula: C₂₀H₂₀Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1

InChI:

InChI=1/C20H20Cl2N2O2/c21-13-10-11-15(17(22)12-13)19(25)24-18-9-5-4-8-16(18)20(26)23-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,23,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8467 kcal/mol

Physical Properties
Molecular Weight: 391.298 g/mol	logS: -6.44072	SlogP: 5.3082	Reactive groups: 0

Topological Properties
Globularity: 0.0493115	Sterimol/B1: 2.45858	Sterimol/B2: 3.4064	Sterimol/B3: 3.68602
Sterimol/B4: 11.1771	Sterimol/L: 16.0286

Surface and Volume Properties
Accessible surface: 638.919	Positive charged surface: 343.449	Negative charged surface: 295.47	Volume: 353.625
Hydrophobic surface: 596.78	Hydrophilic surface: 42.139

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.