MMsINC Database Search


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MMsINC code: MMs02983333

Type: Neutral
Formula: C₁₈H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(NC(Cc1ccccc1)C(=O)NC1CC1)c1ccc(F)cc1

InChI:

InChI=1/C18H19FN2O3S/c19-14-6-10-16(11-7-14)25(23,24)21-17(18(22)20-15-8-9-15)12-13-4-2-1-3-5-13/h1-7,10-11,15,17,21H,8-9,12H2,(H,20,22)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4312 kcal/mol

Physical Properties
Molecular Weight: 362.425 g/mol	logS: -4.07216	SlogP: 1.99387	Reactive groups: 0

Topological Properties
Globularity: 0.186669	Sterimol/B1: 2.097	Sterimol/B2: 3.63691	Sterimol/B3: 5.41424
Sterimol/B4: 7.06941	Sterimol/L: 14.6997

Surface and Volume Properties
Accessible surface: 562.91	Positive charged surface: 310.667	Negative charged surface: 252.243	Volume: 327.375
Hydrophobic surface: 419.787	Hydrophilic surface: 143.123

Pharmacophoric Properties
Hydrogen bond donors: 2	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.