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MMsINC code: MMs02167258

Type: Neutral
Formula: C₂₁H₂₅N₃O₃

SMILES:

O1CCN(CC1)CCCNC(=O)c1ccccc1NC(=O)c1ccccc1

InChI:

InChI=1/C21H25N3O3/c25-20(17-7-2-1-3-8-17)23-19-10-5-4-9-18(19)21(26)22-11-6-12-24-13-15-27-16-14-24/h1-5,7-10H,6,11-16H2,(H,22,26)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.132 kcal/mol

Physical Properties
Molecular Weight: 367.449 g/mol	logS: -3.89214	SlogP: 2.391	Reactive groups: 0

Topological Properties
Globularity: 0.0215149	Sterimol/B1: 2.4823	Sterimol/B2: 3.06654	Sterimol/B3: 3.24394
Sterimol/B4: 10.4358	Sterimol/L: 19.2868

Surface and Volume Properties
Accessible surface: 664.69	Positive charged surface: 464.852	Negative charged surface: 199.839	Volume: 365.375
Hydrophobic surface: 588.386	Hydrophilic surface: 76.304

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02167259
MAYBRIDGE-ZINC04325206