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MMsINC code: MMs00651661

Type: Neutral
Formula: C₁₅H₁₂Cl₂N₂O₂S

SMILES:

Clc1cc(Cl)ccc1C(=O)NC(=S)Nc1ccc(cc1O)C

InChI:

InChI=1/C15H12Cl2N2O2S/c1-8-2-5-12(13(20)6-8)18-15(22)19-14(21)10-4-3-9(16)7-11(10)17/h2-7,20H,1H3,(H2,18,19,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.908 kcal/mol

Physical Properties
Molecular Weight: 355.245 g/mol	logS: -6.39891	SlogP: 4.13422	Reactive groups: 0

Topological Properties
Globularity: 0.0227011	Sterimol/B1: 2.728	Sterimol/B2: 3.25014	Sterimol/B3: 4.2451
Sterimol/B4: 4.94746	Sterimol/L: 18.4952

Surface and Volume Properties
Accessible surface: 564.764	Positive charged surface: 252.431	Negative charged surface: 312.333	Volume: 292.875
Hydrophobic surface: 421.69	Hydrophilic surface: 143.074

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: no related molecules available.