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MMsINC code: MMs01315842

Type: Neutral
Formula: C₁₁H₁₆ClN₃O₃S

SMILES:

ClCCNC(=O)NCCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C11H16ClN3O3S/c12-6-8-15-11(16)14-7-5-9-1-3-10(4-2-9)19(13,17)18/h1-4H,5-8H2,(H2,13,17,18)(H2,14,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-14.2893 kcal/mol

Physical Properties
Molecular Weight: 305.786 g/mol	logS: -2.42559	SlogP: 0.41447	Reactive groups: 1

Topological Properties
Globularity: 0.0419581	Sterimol/B1: 2.4367	Sterimol/B2: 3.13134	Sterimol/B3: 3.8345
Sterimol/B4: 4.87375	Sterimol/L: 19.3933

Surface and Volume Properties
Accessible surface: 542.964	Positive charged surface: 305.364	Negative charged surface: 237.6	Volume: 261.75
Hydrophobic surface: 267.32	Hydrophilic surface: 275.644

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01315843
ENAMINE-ZINC03225608