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MMsINC code: MMs02800892

Type: Neutral
Formula: C₂₀H₁₉N₃O₂

SMILES:

O=C(Cc1ccccc1)c1cc([nH]c1)C(=O)NCCc1ncccc1

InChI:

InChI=1/C20H19N3O2/c24-19(12-15-6-2-1-3-7-15)16-13-18(23-14-16)20(25)22-11-9-17-8-4-5-10-21-17/h1-8,10,13-14,23H,9,11-12H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4252 kcal/mol

Physical Properties
Molecular Weight: 333.391 g/mol	logS: -2.98558	SlogP: 2.80754	Reactive groups: 0

Topological Properties
Globularity: 0.0238927	Sterimol/B1: 3.24583	Sterimol/B2: 3.38334	Sterimol/B3: 3.85677
Sterimol/B4: 4.14018	Sterimol/L: 22.2599

Surface and Volume Properties
Accessible surface: 636.804	Positive charged surface: 382.517	Negative charged surface: 254.287	Volume: 331.25
Hydrophobic surface: 504.816	Hydrophilic surface: 131.988

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.