MMsINC Database Search


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MMsINC code: MMs01177856

Type: Neutral
Formula: C₂₃H₁₉N₃O

SMILES:

O=C(N(Cc1ccccc1)Cc1ncccc1)c1nccc2c1cccc2

InChI:

InChI=1/C23H19N3O/c27-23(22-21-12-5-4-10-19(21)13-15-25-22)26(16-18-8-2-1-3-9-18)17-20-11-6-7-14-24-20/h1-15H,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.857 kcal/mol

Physical Properties
Molecular Weight: 353.425 g/mol	logS: -4.62826	SlogP: 5.0052	Reactive groups: 0

Topological Properties
Globularity: 0.155944	Sterimol/B1: 3.64891	Sterimol/B2: 4.383	Sterimol/B3: 4.63808
Sterimol/B4: 7.41652	Sterimol/L: 15.3593

Surface and Volume Properties
Accessible surface: 583.712	Positive charged surface: 362.085	Negative charged surface: 216.139	Volume: 350.625
Hydrophobic surface: 533.698	Hydrophilic surface: 50.014

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.