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MMsINC code: MMs00257497

Type: Neutral
Formula: C₂₀H₂₉Cl₂NO₂

SMILES:

Clc1ccc(Cl)c(OC)c1C(=O)NC1CCCCCCCCCCC1

InChI:

InChI=1/C20H29Cl2NO2/c1-25-19-17(22)14-13-16(21)18(19)20(24)23-15-11-9-7-5-3-2-4-6-8-10-12-15/h13-15H,2-12H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.628 kcal/mol

Physical Properties
Molecular Weight: 386.363 g/mol	logS: -7.61243	SlogP: 6.4051	Reactive groups: 0

Topological Properties
Globularity: 0.425774	Sterimol/B1: 3.17434	Sterimol/B2: 4.79488	Sterimol/B3: 5.10594
Sterimol/B4: 7.39128	Sterimol/L: 12.2716

Surface and Volume Properties
Accessible surface: 579.056	Positive charged surface: 359.277	Negative charged surface: 219.779	Volume: 373.625
Hydrophobic surface: 557.486	Hydrophilic surface: 21.57

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.