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NCID-ZINC05765409

MMsINC code: MMs02496449

Type: Neutral
Formula: C₂₄H₂₈N₄O₄

SMILES:

O1CCN(CC1)CCNC(=O)CCN1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H28N4O4/c29-21(25-12-14-27-15-17-32-18-16-27)11-13-28-22(30)24(26-23(28)31,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10H,11-18H2,(H,25,29)(H,26,31)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.4393 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 436.512 g/mol	logS: -3.81415	SlogP: 1.632	Reactive groups: 0

Topological Properties
Globularity: 0.0576626	Sterimol/B1: 2.51039	Sterimol/B2: 3.48226	Sterimol/B3: 5.61424
Sterimol/B4: 8.62788	Sterimol/L: 20.8576

Surface and Volume Properties
Accessible surface: 747.605	Positive charged surface: 505.623	Negative charged surface: 241.982	Volume: 418.875
Hydrophobic surface: 616.087	Hydrophilic surface: 131.518

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

MMs02496450
NCID-ZINC05765409