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MMsINC code: MMs02750334

Type: Neutral
Formula: C₁₄H₁₅ClN₄O₃S

SMILES:

Clc1cc(Nc2ccncc2S(=O)(=O)NC(=O)NCC)ccc1

InChI:

InChI=1/C14H15ClN4O3S/c1-2-17-14(20)19-23(21,22)13-9-16-7-6-12(13)18-11-5-3-4-10(15)8-11/h3-9H,2H2,1H3,(H,16,18)(H2,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-4.15803 kcal/mol

Physical Properties
Molecular Weight: 354.818 g/mol	logS: -3.07496	SlogP: 2.4864	Reactive groups: 0

Topological Properties
Globularity: 0.113205	Sterimol/B1: 3.39121	Sterimol/B2: 3.9683	Sterimol/B3: 5.23758
Sterimol/B4: 7.14833	Sterimol/L: 15.9623

Surface and Volume Properties
Accessible surface: 560.301	Positive charged surface: 327.894	Negative charged surface: 232.407	Volume: 297.875
Hydrophobic surface: 409.591	Hydrophilic surface: 150.71

Pharmacophoric Properties
Hydrogen bond donors: 3	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.