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MMsINC code: MMs00440944

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₃S

SMILES:

Clc1cc2-c3c(S(=O)(=O)N(c2cc1)CC(=O)NC)cccc3

InChI:

InChI=1/C15H13ClN2O3S/c1-17-15(19)9-18-13-7-6-10(16)8-12(13)11-4-2-3-5-14(11)22(18,20)21/h2-8H,9H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1892 kcal/mol

Physical Properties
Molecular Weight: 336.799 g/mol	logS: -4.81004	SlogP: 2.2617	Reactive groups: 0

Topological Properties
Globularity: 0.0457311	Sterimol/B1: 3.41263	Sterimol/B2: 3.6321	Sterimol/B3: 4.17575
Sterimol/B4: 7.74848	Sterimol/L: 14.9168

Surface and Volume Properties
Accessible surface: 521.245	Positive charged surface: 259.036	Negative charged surface: 252.151	Volume: 281.375
Hydrophobic surface: 414.767	Hydrophilic surface: 106.478

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.