MMsINC Database Search


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MMsINC code: MMs01154972

Type: Neutral
Formula: C₁₉H₂₃FN₂O₂S

SMILES:

s1cccc1CN(Cc1ccc(F)cc1)C(=O)CNCC1OCCC1

InChI:

InChI=1/C19H23FN2O2S/c20-16-7-5-15(6-8-16)13-22(14-18-4-2-10-25-18)19(23)12-21-11-17-3-1-9-24-17/h2,4-8,10,17,21H,1,3,9,11-14H2/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.7125 kcal/mol

Physical Properties
Molecular Weight: 362.469 g/mol	logS: -3.75653	SlogP: 3.7174	Reactive groups: 0

Topological Properties
Globularity: 0.0601076	Sterimol/B1: 2.76627	Sterimol/B2: 3.39951	Sterimol/B3: 3.48695
Sterimol/B4: 11.0891	Sterimol/L: 16.0802

Surface and Volume Properties
Accessible surface: 630.201	Positive charged surface: 383.667	Negative charged surface: 246.535	Volume: 346.5
Hydrophobic surface: 564.382	Hydrophilic surface: 65.819

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.