MMsINC Database Search


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MMsINC code: MMs00079693

Type: Neutral
Formula: C₁₇H₁₈FNO₂

SMILES:

Fc1ccc(NC(=O)COc2ccc(cc2)CCC)cc1

InChI:

InChI=1/C17H18FNO2/c1-2-3-13-4-10-16(11-5-13)21-12-17(20)19-15-8-6-14(18)7-9-15/h4-11H,2-3,12H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6345 kcal/mol

Physical Properties
Molecular Weight: 287.334 g/mol	logS: -5.23103	SlogP: 3.79567	Reactive groups: 0

Topological Properties
Globularity: 0.0187181	Sterimol/B1: 2.42735	Sterimol/B2: 3.30624	Sterimol/B3: 3.48653
Sterimol/B4: 4.76461	Sterimol/L: 19.6193

Surface and Volume Properties
Accessible surface: 568.725	Positive charged surface: 336.853	Negative charged surface: 231.873	Volume: 281.875
Hydrophobic surface: 489.207	Hydrophilic surface: 79.518

Pharmacophoric Properties
Hydrogen bond donors: 1	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.