MMsINC Database Search


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MMsINC code: MMs01673826

Type: Neutral
Formula: C₁₈H₁₉FN₂O₃S

SMILES:

S(CC(=O)Nc1ccc(F)cc1)c1ccccc1C(=O)NCCOC

InChI:

InChI=1/C18H19FN2O3S/c1-24-11-10-20-18(23)15-4-2-3-5-16(15)25-12-17(22)21-14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.566 kcal/mol

Physical Properties
Molecular Weight: 362.425 g/mol	logS: -4.98646	SlogP: 2.9327	Reactive groups: 0

Topological Properties
Globularity: 0.014242	Sterimol/B1: 2.44704	Sterimol/B2: 3.33469	Sterimol/B3: 3.54023
Sterimol/B4: 7.90942	Sterimol/L: 19.9539

Surface and Volume Properties
Accessible surface: 640.379	Positive charged surface: 407.696	Negative charged surface: 232.683	Volume: 333
Hydrophobic surface: 536.23	Hydrophilic surface: 104.149

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.