MMsINC Database Search


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MMsINC code: MMs00660122

Type: Neutral
Formula: C₂₄H₂₃FN₂O

SMILES:

Fc1ccc(N2CCN(CC2)C(=O)C(c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C24H23FN2O/c25-21-11-13-22(14-12-21)26-15-17-27(18-16-26)24(28)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=185.342 kcal/mol

Physical Properties
Molecular Weight: 374.459 g/mol	logS: -5.29452	SlogP: 4.3064	Reactive groups: 0

Topological Properties
Globularity: 0.111994	Sterimol/B1: 2.097	Sterimol/B2: 3.5651	Sterimol/B3: 4.79815
Sterimol/B4: 8.76901	Sterimol/L: 17.6459

Surface and Volume Properties
Accessible surface: 629.308	Positive charged surface: 373.87	Negative charged surface: 255.438	Volume: 368.75
Hydrophobic surface: 596.748	Hydrophilic surface: 32.56

Pharmacophoric Properties
Hydrogen bond donors: 0	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.