MMsINC Database Search


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MMsINC code: MMs01334294

Type: Neutral
Formula: C₂₁H₁₇FN₂OS

SMILES:

S=C(NC(c1ccccc1)c1ccccc1)NC(=O)c1ccc(F)cc1

InChI:

InChI=1/C21H17FN2OS/c22-18-13-11-17(12-14-18)20(25)24-21(26)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,23,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.891 kcal/mol

Physical Properties
Molecular Weight: 364.444 g/mol	logS: -6.82528	SlogP: 4.3151	Reactive groups: 0

Topological Properties
Globularity: 0.107739	Sterimol/B1: 2.37838	Sterimol/B2: 3.24248	Sterimol/B3: 5.65209
Sterimol/B4: 9.01483	Sterimol/L: 16.3736

Surface and Volume Properties
Accessible surface: 619.283	Positive charged surface: 299.998	Negative charged surface: 319.285	Volume: 341.5
Hydrophobic surface: 526.939	Hydrophilic surface: 92.344

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.