MMsINC Database Search


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MMsINC code: MMs00852438

Type: Neutral
Formula: C₁₈H₁₇FN₂O

SMILES:

Fc1ccc(cc1)CC(=O)NCCn1c2c(cccc2)cc1

InChI:

InChI=1/C18H17FN2O/c19-16-7-5-14(6-8-16)13-18(22)20-10-12-21-11-9-15-3-1-2-4-17(15)21/h1-9,11H,10,12-13H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8641 kcal/mol

Physical Properties
Molecular Weight: 296.345 g/mol	logS: -3.86571	SlogP: 3.40567	Reactive groups: 0

Topological Properties
Globularity: 0.0604066	Sterimol/B1: 2.84307	Sterimol/B2: 2.91792	Sterimol/B3: 4.11021
Sterimol/B4: 6.54054	Sterimol/L: 17.0677

Surface and Volume Properties
Accessible surface: 565.241	Positive charged surface: 321.964	Negative charged surface: 237.433	Volume: 290.125
Hydrophobic surface: 504.912	Hydrophilic surface: 60.329

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.