MMsINC Database Search


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MMsINC code: MMs01466629

Type: Neutral
Formula: C₁₇H₁₈FNOS

SMILES:

S(CCC(=O)Nc1cccc(C)c1C)c1ccc(F)cc1

InChI:

InChI=1/C17H18FNOS/c1-12-4-3-5-16(13(12)2)19-17(20)10-11-21-15-8-6-14(18)7-9-15/h3-9H,10-11H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6495 kcal/mol

Physical Properties
Molecular Weight: 303.401 g/mol	logS: -5.214	SlogP: 4.56344	Reactive groups: 0

Topological Properties
Globularity: 0.0153168	Sterimol/B1: 2.1519	Sterimol/B2: 3.39667	Sterimol/B3: 3.86149
Sterimol/B4: 4.82989	Sterimol/L: 18.1928

Surface and Volume Properties
Accessible surface: 560.453	Positive charged surface: 307.22	Negative charged surface: 253.233	Volume: 292
Hydrophobic surface: 493.824	Hydrophilic surface: 66.629

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.