MMsINC Database Search


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MMsINC code: MMs00552649

Type: Neutral
Formula: C₁₈H₁₈F₂N₂O₂S₂

SMILES:

S(SCCNC(=O)c1ccc(F)cc1)CCNC(=O)c1ccc(F)cc1

InChI:

InChI=1/C18H18F2N2O2S2/c19-15-5-1-13(2-6-15)17(23)21-9-11-25-26-12-10-22-18(24)14-3-7-16(20)8-4-14/h1-8H,9-12H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.3097 kcal/mol

Physical Properties
Molecular Weight: 396.482 g/mol	logS: -6.15712	SlogP: 3.506	Reactive groups: 1

Topological Properties
Globularity: 0.0232433	Sterimol/B1: 2.92003	Sterimol/B2: 4.27948	Sterimol/B3: 4.74916
Sterimol/B4: 4.79913	Sterimol/L: 21.3906

Surface and Volume Properties
Accessible surface: 663.901	Positive charged surface: 333.648	Negative charged surface: 330.254	Volume: 345.25
Hydrophobic surface: 511.933	Hydrophilic surface: 151.968

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.