MMsINC Database Search


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MMsINC code: MMs00619154

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₂S

SMILES:

Clc1ccccc1C(=O)NC(=S)Nc1cc(OC)ccc1

InChI:

InChI=1/C15H13ClN2O2S/c1-20-11-6-4-5-10(9-11)17-15(21)18-14(19)12-7-2-3-8-13(12)16/h2-9H,1H3,(H2,17,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.607 kcal/mol

Physical Properties
Molecular Weight: 320.8 g/mol	logS: -5.60303	SlogP: 3.4754	Reactive groups: 0

Topological Properties
Globularity: 0.0205218	Sterimol/B1: 2.39146	Sterimol/B2: 3.10041	Sterimol/B3: 3.73782
Sterimol/B4: 5.61588	Sterimol/L: 17.8108

Surface and Volume Properties
Accessible surface: 541.324	Positive charged surface: 295.116	Negative charged surface: 246.207	Volume: 281.875
Hydrophobic surface: 430.82	Hydrophilic surface: 110.504

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.