MMsINC Database Search


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MMsINC code: MMs01503783

Type: Neutral
Formula: C₂₀H₂₅FN₂O₃S

SMILES:

S(=O)(=O)(N(CCC)CCC)c1cc(ccc1)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C20H25FN2O3S/c1-3-12-23(13-4-2)27(25,26)19-7-5-6-17(14-19)20(24)22-15-16-8-10-18(21)11-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.9753 kcal/mol

Physical Properties
Molecular Weight: 392.495 g/mol	logS: -4.56541	SlogP: 3.8328	Reactive groups: 0

Topological Properties
Globularity: 0.0621025	Sterimol/B1: 1.969	Sterimol/B2: 3.81533	Sterimol/B3: 4.97848
Sterimol/B4: 8.50693	Sterimol/L: 19.9584

Surface and Volume Properties
Accessible surface: 666.098	Positive charged surface: 386.204	Negative charged surface: 279.894	Volume: 371.125
Hydrophobic surface: 527.258	Hydrophilic surface: 138.84

Pharmacophoric Properties
Hydrogen bond donors: 1	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.