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MMsINC code: MMs02496447

Type: Neutral
Formula: C₂₃H₂₆N₄O₄

SMILES:

O1CCN(CC1)CCNC(=O)CN1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H26N4O4/c28-20(24-11-12-26-13-15-31-16-14-26)17-27-21(29)23(25-22(27)30,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,24,28)(H,25,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.736 kcal/mol

Physical Properties
Molecular Weight: 422.485 g/mol	logS: -3.93223	SlogP: 1.2419	Reactive groups: 0

Topological Properties
Globularity: 0.0689631	Sterimol/B1: 2.53811	Sterimol/B2: 3.58405	Sterimol/B3: 5.17102
Sterimol/B4: 8.2039	Sterimol/L: 19.9802

Surface and Volume Properties
Accessible surface: 711.135	Positive charged surface: 479.863	Negative charged surface: 231.271	Volume: 401
Hydrophobic surface: 582.323	Hydrophilic surface: 128.812

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs02496448
NCID-ZINC05765407