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MMsINC code: MMs03063615

Type: Neutral
Formula: C₁₈H₁₇FN₂O

SMILES:

Fc1cc2c3c([nH]c2cc1)C(NCC3)c1ccccc1OC

InChI:

InChI=1/C18H17FN2O/c1-22-16-5-3-2-4-13(16)17-18-12(8-9-20-17)14-10-11(19)6-7-15(14)21-18/h2-7,10,17,20-21H,8-9H2,1H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.6555 kcal/mol

Physical Properties
Molecular Weight: 296.345 g/mol	logS: -3.86533	SlogP: 3.64617	Reactive groups: 0

Topological Properties
Globularity: 0.16819	Sterimol/B1: 2.39596	Sterimol/B2: 2.67064	Sterimol/B3: 6.09101
Sterimol/B4: 7.92877	Sterimol/L: 13.7377

Surface and Volume Properties
Accessible surface: 514.911	Positive charged surface: 335.899	Negative charged surface: 173.875	Volume: 282.75
Hydrophobic surface: 488.125	Hydrophilic surface: 26.786

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs03063616
PUBCHEM-ZINC03735592