MMsINC Database Search


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MMsINC code: MMs02945171

Type: Neutral
Formula: C₁₇H₁₈FNO₂

SMILES:

Fc1ccc(cc1)CC(=O)NCCOc1ccc(cc1)C

InChI:

InChI=1/C17H18FNO2/c1-13-2-8-16(9-3-13)21-11-10-19-17(20)12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7051 kcal/mol

Physical Properties
Molecular Weight: 287.334 g/mol	logS: -4.2061	SlogP: 2.87179	Reactive groups: 0

Topological Properties
Globularity: 0.0308979	Sterimol/B1: 2.7801	Sterimol/B2: 3.41932	Sterimol/B3: 4.08597
Sterimol/B4: 4.38943	Sterimol/L: 19.3383

Surface and Volume Properties
Accessible surface: 571.159	Positive charged surface: 349.852	Negative charged surface: 221.307	Volume: 283.375
Hydrophobic surface: 525.4	Hydrophilic surface: 45.759

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.