MMsINC Database Search


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MMsINC code: MMs01166618

Type: Neutral
Formula: C₁₅H₁₄FNOS

SMILES:

s1c2c(cc1)C(N(CC2)C(=O)C)c1ccc(F)cc1

InChI:

InChI=1/C15H14FNOS/c1-10(18)17-8-6-14-13(7-9-19-14)15(17)11-2-4-12(16)5-3-11/h2-5,7,9,15H,6,8H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0018 kcal/mol

Physical Properties
Molecular Weight: 275.347 g/mol	logS: -3.4858	SlogP: 3.47667	Reactive groups: 0

Topological Properties
Globularity: 0.445988	Sterimol/B1: 2.24905	Sterimol/B2: 3.07342	Sterimol/B3: 4.87826
Sterimol/B4: 8.32144	Sterimol/L: 11.3881

Surface and Volume Properties
Accessible surface: 461.96	Positive charged surface: 236.333	Negative charged surface: 225.627	Volume: 250.625
Hydrophobic surface: 425.297	Hydrophilic surface: 36.663

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.