MMsINC Database Search


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MMsINC code: MMs01621497

Type: Neutral
Formula: C₁₈H₂₄Cl₂N₂O₃S

SMILES:

Clc1cccc(Cl)c1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCC1

InChI:

InChI=1/C18H24Cl2N2O3S/c19-15-7-4-8-16(20)17(15)26(24,25)22-11-9-13(10-12-22)18(23)21-14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.4283 kcal/mol

Physical Properties
Molecular Weight: 419.373 g/mol	logS: -4.71959	SlogP: 3.843	Reactive groups: 0

Topological Properties
Globularity: 0.0534726	Sterimol/B1: 3.00457	Sterimol/B2: 3.89356	Sterimol/B3: 5.04066
Sterimol/B4: 5.39586	Sterimol/L: 19.0798

Surface and Volume Properties
Accessible surface: 626.186	Positive charged surface: 373.066	Negative charged surface: 253.12	Volume: 362.625
Hydrophobic surface: 549.467	Hydrophilic surface: 76.719

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.