MMsINC Database Search


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MMsINC code: MMs03168028

Type: Neutral
Formula: C₁₈H₁₅F₄NOS

SMILES:

S1CCN(C(=O)Cc2ccc(F)cc2)C1c1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C18H15F4NOS/c19-15-6-4-12(5-7-15)10-16(24)23-8-9-25-17(23)13-2-1-3-14(11-13)18(20,21)22/h1-7,11,17H,8-10H2/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0973 kcal/mol

Physical Properties
Molecular Weight: 369.382 g/mol	logS: -5.62737	SlogP: 5.06817	Reactive groups: 0

Topological Properties
Globularity: 0.148704	Sterimol/B1: 2.51462	Sterimol/B2: 4.03976	Sterimol/B3: 5.66499
Sterimol/B4: 7.40016	Sterimol/L: 14.6271

Surface and Volume Properties
Accessible surface: 570.144	Positive charged surface: 267.948	Negative charged surface: 302.196	Volume: 311.75
Hydrophobic surface: 410.04	Hydrophilic surface: 160.104

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.