MMsINC Database Search


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MMsINC code: MMs00662656

Type: Neutral
Formula: C₂₁H₁₈FNOS

SMILES:

S(C(C(=O)NCc1ccc(F)cc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C21H18FNOS/c22-18-13-11-16(12-14-18)15-23-21(24)20(17-7-3-1-4-8-17)25-19-9-5-2-6-10-19/h1-14,20H,15H2,(H,23,24)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2853 kcal/mol

Physical Properties
Molecular Weight: 351.445 g/mol	logS: -6.40963	SlogP: 5.3374	Reactive groups: 0

Topological Properties
Globularity: 0.115245	Sterimol/B1: 2.51093	Sterimol/B2: 3.53122	Sterimol/B3: 4.07535
Sterimol/B4: 10.984	Sterimol/L: 15.4732

Surface and Volume Properties
Accessible surface: 614.151	Positive charged surface: 310.043	Negative charged surface: 304.107	Volume: 339.125
Hydrophobic surface: 559.123	Hydrophilic surface: 55.028

Pharmacophoric Properties
Hydrogen bond donors: 1	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.