MMsINC Database Search


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MMsINC code: MMs00529010

Type: Neutral
Formula: C₂₃H₂₄N₂

SMILES:

N(=C\c1ccc(N(CC)CC)cc1)/c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C23H24N2/c1-3-25(4-2)23-16-10-19(11-17-23)18-24-22-14-12-21(13-15-22)20-8-6-5-7-9-20/h5-18H,3-4H2,1-2H3/b24-18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.009 kcal/mol

Physical Properties
Molecular Weight: 328.459 g/mol	logS: -6.31783	SlogP: 5.9504	Reactive groups: 0

Topological Properties
Globularity: 0.0307156	Sterimol/B1: 2.00051	Sterimol/B2: 2.47227	Sterimol/B3: 5.17514
Sterimol/B4: 5.65811	Sterimol/L: 20.5487

Surface and Volume Properties
Accessible surface: 637.693	Positive charged surface: 379.882	Negative charged surface: 247.038	Volume: 356.625
Hydrophobic surface: 563.56	Hydrophilic surface: 74.133

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.