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MMsINC code: MMs00341010

Type: Neutral
Formula: C₁₉H₂₃N₃O₃

SMILES:

O(C(C)C)c1ccc(cc1)C(=O)NCCCNC(=O)c1ncccc1

InChI:

InChI=1/C19H23N3O3/c1-14(2)25-16-9-7-15(8-10-16)18(23)21-12-5-13-22-19(24)17-6-3-4-11-20-17/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1391 kcal/mol

Physical Properties
Molecular Weight: 341.411 g/mol	logS: -3.27283	SlogP: 2.4187	Reactive groups: 0

Topological Properties
Globularity: 0.01178	Sterimol/B1: 2.45405	Sterimol/B2: 3.45484	Sterimol/B3: 4.11483
Sterimol/B4: 6.90563	Sterimol/L: 21.8967

Surface and Volume Properties
Accessible surface: 665.105	Positive charged surface: 443.959	Negative charged surface: 221.146	Volume: 338.875
Hydrophobic surface: 509.064	Hydrophilic surface: 156.041

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: no related molecules available.