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MMsINC code: MMs00143139

Type: Neutral
Formula: C₁₈H₂₁ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)NCC(N2CCOCC2)c2ccccc2)cc1

InChI:

InChI=1/C18H21ClN2O3S/c19-16-6-8-17(9-7-16)25(22,23)20-14-18(15-4-2-1-3-5-15)21-10-12-24-13-11-21/h1-9,18,20H,10-14H2/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0832 kcal/mol

Physical Properties
Molecular Weight: 380.896 g/mol	logS: -3.91442	SlogP: 2.7873	Reactive groups: 0

Topological Properties
Globularity: 0.117829	Sterimol/B1: 2.32507	Sterimol/B2: 3.31967	Sterimol/B3: 4.05723
Sterimol/B4: 9.21492	Sterimol/L: 15.0238

Surface and Volume Properties
Accessible surface: 608.96	Positive charged surface: 344.385	Negative charged surface: 264.576	Volume: 340
Hydrophobic surface: 526.709	Hydrophilic surface: 82.251

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00143140
ASINEX-ZINC00629118