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MMsINC code: MMs01937988

Type: Neutral
Formula: C₂₃H₂₇FN₂O₂

SMILES:

Fc1ccccc1COc1ccc2c(cccc2)c1CNCCNCC(O)C

InChI:

InChI=1/C23H27FN2O2/c1-17(27)14-25-12-13-26-15-21-20-8-4-2-6-18(20)10-11-23(21)28-16-19-7-3-5-9-22(19)24/h2-11,17,25-27H,12-16H2,1H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6733 kcal/mol

Physical Properties
Molecular Weight: 382.479 g/mol	logS: -5.00813	SlogP: 4.1507	Reactive groups: 0

Topological Properties
Globularity: 0.0510881	Sterimol/B1: 2.21593	Sterimol/B2: 4.2788	Sterimol/B3: 7.35641
Sterimol/B4: 8.58501	Sterimol/L: 16.957

Surface and Volume Properties
Accessible surface: 703.607	Positive charged surface: 440.499	Negative charged surface: 253.321	Volume: 384.25
Hydrophobic surface: 597.526	Hydrophilic surface: 106.081

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01937989
IBS-ZINC05307749