MMsINC Database Search


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MMsINC code: MMs00148369

Type: Neutral
Formula: C₂₅H₂₇FN₂O₃

SMILES:

Fc1ccccc1COc1ccc(cc1OC)CNc1ccc(N2CCOCC2)cc1

InChI:

InChI=1/C25H27FN2O3/c1-29-25-16-19(6-11-24(25)31-18-20-4-2-3-5-23(20)26)17-27-21-7-9-22(10-8-21)28-12-14-30-15-13-28/h2-11,16,27H,12-15,17-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=182.68 kcal/mol

Physical Properties
Molecular Weight: 422.5 g/mol	logS: -5.33177	SlogP: 5.3948	Reactive groups: 0

Topological Properties
Globularity: 0.0281399	Sterimol/B1: 2.29249	Sterimol/B2: 3.38325	Sterimol/B3: 3.80128
Sterimol/B4: 8.42539	Sterimol/L: 23.532

Surface and Volume Properties
Accessible surface: 747.403	Positive charged surface: 515.984	Negative charged surface: 231.42	Volume: 410.75
Hydrophobic surface: 694.917	Hydrophilic surface: 52.486

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: 1

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Ions/Tautomers related molecules: no related molecules available.