MMsINC Database Search


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MMsINC code: MMs02815769

Type: Neutral
Formula: C₂₄H₁₉N

SMILES:

n1cc(cc(-c2ccccc2)c1Cc1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H19N/c1-4-10-19(11-5-1)16-24-23(21-14-8-3-9-15-21)17-22(18-25-24)20-12-6-2-7-13-20/h1-15,17-18H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.067 kcal/mol

Physical Properties
Molecular Weight: 321.423 g/mol	logS: -6.93535	SlogP: 6.00637	Reactive groups: 0

Topological Properties
Globularity: 0.121395	Sterimol/B1: 2.28854	Sterimol/B2: 3.32181	Sterimol/B3: 5.54476
Sterimol/B4: 8.71194	Sterimol/L: 14.9286

Surface and Volume Properties
Accessible surface: 578.336	Positive charged surface: 326.198	Negative charged surface: 239.28	Volume: 340.5
Hydrophobic surface: 572.156	Hydrophilic surface: 6.1800000000001

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.