MMsINC Database Search


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MMsINC code: MMs00174906

Type: Neutral
Formula: C₁₅H₂₀ClNO₅S

SMILES:

Clc1cc(S(=O)(=O)N2CCC(CC2)C)ccc1OCC(OC)=O

InChI:

InChI=1/C15H20ClNO5S/c1-11-5-7-17(8-6-11)23(19,20)12-3-4-14(13(16)9-12)22-10-15(18)21-2/h3-4,9,11H,5-8,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7247 kcal/mol

Physical Properties
Molecular Weight: 361.846 g/mol	logS: -3.76065	SlogP: 2.3124	Reactive groups: 1

Topological Properties
Globularity: 0.05273	Sterimol/B1: 2.39381	Sterimol/B2: 3.05858	Sterimol/B3: 5.52224
Sterimol/B4: 6.22883	Sterimol/L: 18.8417

Surface and Volume Properties
Accessible surface: 594.071	Positive charged surface: 374.646	Negative charged surface: 219.425	Volume: 314
Hydrophobic surface: 470.973	Hydrophilic surface: 123.098

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.