MMsINC Database Search


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MMsINC code: MMs01616548

Type: Neutral
Formula: C₁₇H₁₈FNO

SMILES:

Fc1ccc(cc1)CCNC(=O)c1cccc(C)c1C

InChI:

InChI=1/C17H18FNO/c1-12-4-3-5-16(13(12)2)17(20)19-11-10-14-6-8-15(18)9-7-14/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)=72.1848 kcal/mol

Physical Properties
Molecular Weight: 271.335 g/mol	logS: -4.6032	SlogP: 3.41501	Reactive groups: 0

Topological Properties
Globularity: 0.0436194	Sterimol/B1: 3.12384	Sterimol/B2: 3.64506	Sterimol/B3: 3.6517
Sterimol/B4: 5.65389	Sterimol/L: 17.3683

Surface and Volume Properties
Accessible surface: 523.582	Positive charged surface: 302.827	Negative charged surface: 220.755	Volume: 273.875
Hydrophobic surface: 490.931	Hydrophilic surface: 32.651

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.