MMsINC Database Search


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MMsINC code: MMs01713240

Type: Neutral
Formula: C₂₄H₁₉FN₂O₂

SMILES:

Fc1ccccc1CNc1nc2c(cc3OCCOc3c2)c(c1)-c1ccccc1

InChI:

InChI=1/C24H19FN2O2/c25-20-9-5-4-8-17(20)15-26-24-13-18(16-6-2-1-3-7-16)19-12-22-23(14-21(19)27-24)29-11-10-28-22/h1-9,12-14H,10-11,15H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.0628 kcal/mol

Physical Properties
Molecular Weight: 386.426 g/mol	logS: -6.82	SlogP: 5.6906	Reactive groups: 0

Topological Properties
Globularity: 0.0499452	Sterimol/B1: 2.49006	Sterimol/B2: 3.61313	Sterimol/B3: 3.74589
Sterimol/B4: 10.5595	Sterimol/L: 18.4062

Surface and Volume Properties
Accessible surface: 654.624	Positive charged surface: 396.738	Negative charged surface: 249.296	Volume: 364.5
Hydrophobic surface: 583.364	Hydrophilic surface: 71.26

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.