MMsINC Database Search


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MMsINC code: MMs01304958

Type: Neutral
Formula: C₁₅H₂₃ClN₂O₃S

SMILES:

Clc1ccc(cc1S(=O)(=O)N(CC)CC)C(=O)NC(CC)C

InChI:

InChI=1/C15H23ClN2O3S/c1-5-11(4)17-15(19)12-8-9-13(16)14(10-12)22(20,21)18(6-2)7-3/h8-11H,5-7H2,1-4H3,(H,17,19)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.9157 kcal/mol

Physical Properties
Molecular Weight: 346.879 g/mol	logS: -3.68947	SlogP: 2.8988	Reactive groups: 0

Topological Properties
Globularity: 0.139733	Sterimol/B1: 3.12835	Sterimol/B2: 4.08948	Sterimol/B3: 5.5375
Sterimol/B4: 6.31254	Sterimol/L: 14.4025

Surface and Volume Properties
Accessible surface: 580.022	Positive charged surface: 337.853	Negative charged surface: 242.168	Volume: 320.5
Hydrophobic surface: 423.333	Hydrophilic surface: 156.689

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: no related molecules available.