MMsINC Database Search


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MMsINC code: MMs01751647

Type: Neutral
Formula: C₁₇H₁₉FN₂O

SMILES:

Fc1cc2c(nc(cc2C(=O)N2CCC(CC2)C)C)cc1

InChI:

InChI=1/C17H19FN2O/c1-11-5-7-20(8-6-11)17(21)15-9-12(2)19-16-4-3-13(18)10-14(15)16/h3-4,9-11H,5-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6026 kcal/mol

Physical Properties
Molecular Weight: 286.35 g/mol	logS: -3.8913	SlogP: 3.55442	Reactive groups: 0

Topological Properties
Globularity: 0.137855	Sterimol/B1: 2.04635	Sterimol/B2: 3.6536	Sterimol/B3: 4.23175
Sterimol/B4: 9.21378	Sterimol/L: 13.7683

Surface and Volume Properties
Accessible surface: 514.482	Positive charged surface: 331.031	Negative charged surface: 179.452	Volume: 278.25
Hydrophobic surface: 451.415	Hydrophilic surface: 63.067

Pharmacophoric Properties
Hydrogen bond donors: 0	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.