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MMsINC code: MMs00926716

Type: Neutral
Formula: C₂₀H₂₅N₃O₃

SMILES:

O1CCN(CC1)CCCNC(=O)Cn1cccc1C(=O)c1ccccc1

InChI:

InChI=1/C20H25N3O3/c24-19(21-9-5-10-22-12-14-26-15-13-22)16-23-11-4-8-18(23)20(25)17-6-2-1-3-7-17/h1-4,6-8,11H,5,9-10,12-16H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0709 kcal/mol

Physical Properties
Molecular Weight: 355.438 g/mol	logS: -2.51155	SlogP: 1.824	Reactive groups: 0

Topological Properties
Globularity: 0.051047	Sterimol/B1: 2.70638	Sterimol/B2: 3.05931	Sterimol/B3: 4.18301
Sterimol/B4: 8.71102	Sterimol/L: 18.9514

Surface and Volume Properties
Accessible surface: 661.346	Positive charged surface: 468.278	Negative charged surface: 193.068	Volume: 354.25
Hydrophobic surface: 563.584	Hydrophilic surface: 97.762

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs00926717
CHEMDIV-ZINC04104140