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MMsINC code: MMs01190426

Type: Neutral
Formula: C₂₀H₂₆N₄O₄

SMILES:

O1CCN(CC1)CCn1c2c(nc1CCNC(=O)C1CC1)cc(cc2)C(O)=O

InChI:

InChI=1/C20H26N4O4/c25-19(14-1-2-14)21-6-5-18-22-16-13-15(20(26)27)3-4-17(16)24(18)8-7-23-9-11-28-12-10-23/h3-4,13-14H,1-2,5-12H2,(H,21,25)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.3661 kcal/mol

Physical Properties
Molecular Weight: 386.452 g/mol	logS: -2.20564	SlogP: 1.40177	Reactive groups: 0

Topological Properties
Globularity: 0.0773993	Sterimol/B1: 3.03819	Sterimol/B2: 4.24172	Sterimol/B3: 5.11416
Sterimol/B4: 9.88407	Sterimol/L: 17.6216

Surface and Volume Properties
Accessible surface: 686.728	Positive charged surface: 490.585	Negative charged surface: 196.143	Volume: 370.625
Hydrophobic surface: 465.616	Hydrophilic surface: 221.112

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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.