MMsINC Database Search


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MMsINC code: MMs02334370

Type: Neutral
Formula: C₂₅H₁₈N₂O

SMILES:

o1c(c(nc1-c1nccc2c1cccc2)-c1ccc(cc1)C)-c1ccccc1

InChI:

InChI=1/C25H18N2O/c1-17-11-13-19(14-12-17)22-24(20-8-3-2-4-9-20)28-25(27-22)23-21-10-6-5-7-18(21)15-16-26-23/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.711 kcal/mol

Physical Properties
Molecular Weight: 362.432 g/mol	logS: -8.73789	SlogP: 6.53222	Reactive groups: 0

Topological Properties
Globularity: 0.0678585	Sterimol/B1: 2.46467	Sterimol/B2: 2.77105	Sterimol/B3: 4.62978
Sterimol/B4: 8.92213	Sterimol/L: 16.9459

Surface and Volume Properties
Accessible surface: 635.983	Positive charged surface: 363.538	Negative charged surface: 262.349	Volume: 362.125
Hydrophobic surface: 593.128	Hydrophilic surface: 42.855

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.