MMsINC Database Search


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MMsINC code: MMs01024578

Type: Neutral
Formula: C₂₅H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)Cn1c2c(cccc2)c(CNCc2ccc(cc2)C)c1C(O)=O

InChI:

InChI=1/C25H23FN2O2/c1-17-6-8-18(9-7-17)14-27-15-22-21-4-2-3-5-23(21)28(24(22)25(29)30)16-19-10-12-20(26)13-11-19/h2-13,27H,14-16H2,1H3,(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1495 kcal/mol

Physical Properties
Molecular Weight: 402.469 g/mol	logS: -5.73631	SlogP: 5.92432	Reactive groups: 0

Topological Properties
Globularity: 0.0673552	Sterimol/B1: 2.44644	Sterimol/B2: 4.70719	Sterimol/B3: 5.42016
Sterimol/B4: 6.84589	Sterimol/L: 19.5722

Surface and Volume Properties
Accessible surface: 685.826	Positive charged surface: 385.947	Negative charged surface: 294.179	Volume: 393.125
Hydrophobic surface: 585.951	Hydrophilic surface: 99.875

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.