MMsINC Database Search


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MMsINC code: MMs01233419

Type: Neutral
Formula: C₁₂H₁₁ClFNS

SMILES:

Clc1cc(NCc2sccc2C)ccc1F

InChI:

InChI=1/C12H11ClFNS/c1-8-4-5-16-12(8)7-15-9-2-3-11(14)10(13)6-9/h2-6,15H,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.7467 kcal/mol

Physical Properties
Molecular Weight: 255.744 g/mol	logS: -3.94565	SlogP: 4.72752	Reactive groups: 0

Topological Properties
Globularity: 0.110017	Sterimol/B1: 2.21596	Sterimol/B2: 3.55426	Sterimol/B3: 4.74576
Sterimol/B4: 5.74763	Sterimol/L: 13.9495

Surface and Volume Properties
Accessible surface: 456.919	Positive charged surface: 193.062	Negative charged surface: 263.857	Volume: 227.5
Hydrophobic surface: 439.933	Hydrophilic surface: 16.986

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.