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MMsINC code: MMs01126513

Type: Neutral
Formula: C₂₀H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1NC(=O)N(Cc1occc1)CCc1ccccc1

InChI:

InChI=1/C20H18Cl2N2O2/c21-16-8-9-19(18(22)13-16)23-20(25)24(14-17-7-4-12-26-17)11-10-15-5-2-1-3-6-15/h1-9,12-13H,10-11,14H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.6726 kcal/mol

Physical Properties
Molecular Weight: 389.282 g/mol	logS: -6.13962	SlogP: 6.12957	Reactive groups: 0

Topological Properties
Globularity: 0.0863208	Sterimol/B1: 3.13174	Sterimol/B2: 4.21939	Sterimol/B3: 5.03754
Sterimol/B4: 8.2343	Sterimol/L: 17.3268

Surface and Volume Properties
Accessible surface: 643.753	Positive charged surface: 285.746	Negative charged surface: 358.007	Volume: 354
Hydrophobic surface: 610.682	Hydrophilic surface: 33.071

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