MMsINC Database Search


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MMsINC code: MMs00335735

Type: Neutral
Formula: C₁₅H₂₁ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)NCCC(=O)N2CCC(CC2)C)cc1

InChI:

InChI=1/C15H21ClN2O3S/c1-12-7-10-18(11-8-12)15(19)6-9-17-22(20,21)14-4-2-13(16)3-5-14/h2-5,12,17H,6-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.2427 kcal/mol

Physical Properties
Molecular Weight: 344.863 g/mol	logS: -3.17502	SlogP: 2.2669	Reactive groups: 0

Topological Properties
Globularity: 0.0872312	Sterimol/B1: 2.71044	Sterimol/B2: 4.63472	Sterimol/B3: 5.05705
Sterimol/B4: 5.61671	Sterimol/L: 16.7241

Surface and Volume Properties
Accessible surface: 584.72	Positive charged surface: 341.21	Negative charged surface: 243.509	Volume: 309.625
Hydrophobic surface: 449.521	Hydrophilic surface: 135.199

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.