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MMsINC code: MMs01165962

Type: Neutral
Formula: C₂₄H₂₈FN₃O₃

SMILES:

Fc1ccc(cc1)CN(C(=O)CN(C(=O)C)CCOC)CCc1c2c([nH]c1)cccc2

InChI:

InChI=1/C24H28FN3O3/c1-18(29)27(13-14-31-2)17-24(30)28(16-19-7-9-21(25)10-8-19)12-11-20-15-26-23-6-4-3-5-22(20)23/h3-10,15,26H,11-14,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.8096 kcal/mol

Physical Properties
Molecular Weight: 425.504 g/mol	logS: -4.05585	SlogP: 3.63957	Reactive groups: 0

Topological Properties
Globularity: 0.16072	Sterimol/B1: 2.49763	Sterimol/B2: 5.63117	Sterimol/B3: 7.32162
Sterimol/B4: 7.84082	Sterimol/L: 17.0139

Surface and Volume Properties
Accessible surface: 726.069	Positive charged surface: 466.32	Negative charged surface: 254.914	Volume: 416.625
Hydrophobic surface: 624.421	Hydrophilic surface: 101.648

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.