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MMsINC code: MMs01812027

Type: Neutral
Formula: C₂₀H₂₆N₄O₄

SMILES:

O1Cc2c(nc3oc4c(ncnc4N(CC(O)C)CC(O)C)c3c2)CC1(C)C

InChI:

InChI=1/C20H26N4O4/c1-11(25)7-24(8-12(2)26)18-17-16(21-10-22-18)14-5-13-9-27-20(3,4)6-15(13)23-19(14)28-17/h5,10-12,25-26H,6-9H2,1-4H3/t11-,12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.697 kcal/mol

Physical Properties
Molecular Weight: 386.452 g/mol	logS: -4.65033	SlogP: 2.45667	Reactive groups: 0

Topological Properties
Globularity: 0.0735731	Sterimol/B1: 3.6064	Sterimol/B2: 4.71836	Sterimol/B3: 5.41955
Sterimol/B4: 5.48298	Sterimol/L: 18.6364

Surface and Volume Properties
Accessible surface: 637.262	Positive charged surface: 458.622	Negative charged surface: 172.42	Volume: 361.5
Hydrophobic surface: 363.312	Hydrophilic surface: 273.95

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.