MMsINC Database Search


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MMsINC code: MMs00604465

Type: Neutral
Formula: C₁₇H₁₈FNO

SMILES:

Fc1ccccc1C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C17H18FNO/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.4147 kcal/mol

Physical Properties
Molecular Weight: 271.335 g/mol	logS: -4.18434	SlogP: 3.57677	Reactive groups: 0

Topological Properties
Globularity: 0.0687295	Sterimol/B1: 2.24597	Sterimol/B2: 2.47716	Sterimol/B3: 4.38982
Sterimol/B4: 7.48867	Sterimol/L: 15.8407

Surface and Volume Properties
Accessible surface: 529.626	Positive charged surface: 300.313	Negative charged surface: 229.314	Volume: 275.125
Hydrophobic surface: 480.42	Hydrophilic surface: 49.206

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.