MMsINC Database Search


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MMsINC code: MMs00608082

Type: Neutral
Formula: C₁₇H₁₈FNO

SMILES:

Fc1cc(ccc1)C(=O)NC(CCc1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.2077 kcal/mol

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

Topological Properties
Globularity: 0.0686807	Sterimol/B1: 2.24223	Sterimol/B2: 2.4762	Sterimol/B3: 4.39009
Sterimol/B4: 7.67741	Sterimol/L: 15.8276

Surface and Volume Properties
Accessible surface: 532.971	Positive charged surface: 294.745	Negative charged surface: 238.226	Volume: 275.375
Hydrophobic surface: 480.762	Hydrophilic surface: 52.209

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.