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MMsINC code: MMs00645496

Type: Neutral
Formula: C₂₃H₂₃N₃O₂

SMILES:

O(c1cc(ccc1)CN1CCN(CC1)C(=O)c1cccnc1)c1ccccc1

InChI:

InChI=1/C23H23N3O2/c27-23(20-7-5-11-24-17-20)26-14-12-25(13-15-26)18-19-6-4-10-22(16-19)28-21-8-2-1-3-9-21/h1-11,16-17H,12-15,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.341 kcal/mol

Physical Properties
Molecular Weight: 373.456 g/mol	logS: -3.76422	SlogP: 4.0983	Reactive groups: 0

Topological Properties
Globularity: 0.086632	Sterimol/B1: 2.30497	Sterimol/B2: 4.18062	Sterimol/B3: 5.39736
Sterimol/B4: 7.25386	Sterimol/L: 16.6538

Surface and Volume Properties
Accessible surface: 656.794	Positive charged surface: 440.999	Negative charged surface: 215.795	Volume: 368.25
Hydrophobic surface: 600.886	Hydrophilic surface: 55.908

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00645497
CHEMBRIDGE-ZINC00893294