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MMsINC code: MMs03164211

Type: Neutral
Formula: C₂₃H₂₄FN₃O

SMILES:

Fc1ccccc1-c1nc2c(cc(cc2)C)c(c1)C(=O)N1CCN(CC1)CC

InChI:

InChI=1/C23H24FN3O/c1-3-26-10-12-27(13-11-26)23(28)19-15-22(17-6-4-5-7-20(17)24)25-21-9-8-16(2)14-18(19)21/h4-9,14-15H,3,10-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.787 kcal/mol

Physical Properties
Molecular Weight: 377.463 g/mol	logS: -5.55158	SlogP: 4.12702	Reactive groups: 0

Topological Properties
Globularity: 0.128999	Sterimol/B1: 2.21185	Sterimol/B2: 4.16056	Sterimol/B3: 5.9283
Sterimol/B4: 10.3392	Sterimol/L: 14.9037

Surface and Volume Properties
Accessible surface: 647.007	Positive charged surface: 420.61	Negative charged surface: 216.568	Volume: 370
Hydrophobic surface: 578.007	Hydrophilic surface: 69

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs03164212
PUBCHEM-ZINC04735597