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MMsINC code: MMs02866876

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₃S

SMILES:

Clc1cc(NC(=S)NC(=O)c2cc(OCCCC)ccc2)ccc1OC

InChI:

InChI=1/C19H21ClN2O3S/c1-3-4-10-25-15-7-5-6-13(11-15)18(23)22-19(26)21-14-8-9-17(24-2)16(20)12-14/h5-9,11-12H,3-4,10H2,1-2H3,(H2,21,22,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.523 kcal/mol

Physical Properties
Molecular Weight: 392.907 g/mol	logS: -6.69761	SlogP: 4.6543	Reactive groups: 0

Topological Properties
Globularity: 0.0107501	Sterimol/B1: 2.73641	Sterimol/B2: 2.98589	Sterimol/B3: 3.57237
Sterimol/B4: 6.46929	Sterimol/L: 23.4526

Surface and Volume Properties
Accessible surface: 686.602	Positive charged surface: 414.467	Negative charged surface: 272.135	Volume: 359.5
Hydrophobic surface: 544.839	Hydrophilic surface: 141.763

Pharmacophoric Properties
Hydrogen bond donors: 2	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.