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MMsINC code: MMs00251824

Type: Neutral
Formula: C₁₉H₁₆ClN₃O₂S

SMILES:

Clc1ccc(cc1)C(=O)Nc1sc(C(=O)Nc2ccccc2C)c(n1)C

InChI:

InChI=1/C19H16ClN3O2S/c1-11-5-3-4-6-15(11)22-18(25)16-12(2)21-19(26-16)23-17(24)13-7-9-14(20)10-8-13/h3-10H,1-2H3,(H,22,25)(H,21,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4585 kcal/mol

Physical Properties
Molecular Weight: 385.875 g/mol	logS: -6.1573	SlogP: 4.91794	Reactive groups: 0

Topological Properties
Globularity: 0.0114608	Sterimol/B1: 2.10403	Sterimol/B2: 2.21303	Sterimol/B3: 3.6233
Sterimol/B4: 8.81245	Sterimol/L: 20.7748

Surface and Volume Properties
Accessible surface: 636.95	Positive charged surface: 315.698	Negative charged surface: 321.252	Volume: 341.75
Hydrophobic surface: 546.28	Hydrophilic surface: 90.67

Pharmacophoric Properties
Hydrogen bond donors: 2	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.