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MMsINC code: MMs01189514

Type: Neutral
Formula: C₂₀H₂₃N₃O₂

SMILES:

O=C(N(Cc1cccnc1)c1ccccc1C)C1N(CCC1)C(=O)C

InChI:

InChI=1/C20H23N3O2/c1-15-7-3-4-9-18(15)23(14-17-8-5-11-21-13-17)20(25)19-10-6-12-22(19)16(2)24/h3-5,7-9,11,13,19H,6,10,12,14H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.531 kcal/mol

Physical Properties
Molecular Weight: 337.423 g/mol	logS: -2.77753	SlogP: 3.20052	Reactive groups: 0

Topological Properties
Globularity: 0.270441	Sterimol/B1: 3.34416	Sterimol/B2: 5.43863	Sterimol/B3: 5.93365
Sterimol/B4: 6.36762	Sterimol/L: 13.3954

Surface and Volume Properties
Accessible surface: 557.388	Positive charged surface: 383.404	Negative charged surface: 173.983	Volume: 335.875
Hydrophobic surface: 497.83	Hydrophilic surface: 59.558

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.