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MMsINC code: MMs01053157

Type: Neutral
Formula: C₂₃H₃₀FN₃O

SMILES:

Fc1ccc(cc1)CN(C(=O)Nc1cc(ccc1C)C)C1CCN(CC1)CC

InChI:

InChI=1/C23H30FN3O/c1-4-26-13-11-21(12-14-26)27(16-19-7-9-20(24)10-8-19)23(28)25-22-15-17(2)5-6-18(22)3/h5-10,15,21H,4,11-14,16H2,1-3H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7096 kcal/mol

Physical Properties
Molecular Weight: 383.511 g/mol	logS: -4.79695	SlogP: 5.22734	Reactive groups: 0

Topological Properties
Globularity: 0.192864	Sterimol/B1: 3.54826	Sterimol/B2: 3.82099	Sterimol/B3: 5.51884
Sterimol/B4: 9.23689	Sterimol/L: 15.5186

Surface and Volume Properties
Accessible surface: 665.194	Positive charged surface: 439.936	Negative charged surface: 225.258	Volume: 391.625
Hydrophobic surface: 622.591	Hydrophilic surface: 42.603

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01053158
CHEMDIV-ZINC06877673