MMsINC Database Search


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MMsINC code: MMs00816084

Type: Neutral
Formula: C₂₅H₂₀N₂O₂

SMILES:

Oc1c(cc2c(cccc2)c1\C=N\c1ccccc1C)C(=O)Nc1ccccc1

InChI:

InChI=1/C25H20N2O2/c1-17-9-5-8-14-23(17)26-16-22-20-13-7-6-10-18(20)15-21(24(22)28)25(29)27-19-11-3-2-4-12-19/h2-16,28H,1H3,(H,27,29)/b26-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.961 kcal/mol

Physical Properties
Molecular Weight: 380.447 g/mol	logS: -6.95601	SlogP: 5.85672	Reactive groups: 0

Topological Properties
Globularity: 0.0438335	Sterimol/B1: 2.32714	Sterimol/B2: 2.35473	Sterimol/B3: 5.27654
Sterimol/B4: 10.5369	Sterimol/L: 18.4887

Surface and Volume Properties
Accessible surface: 660.22	Positive charged surface: 374.868	Negative charged surface: 275.373	Volume: 376.375
Hydrophobic surface: 596.364	Hydrophilic surface: 63.856

Pharmacophoric Properties
Hydrogen bond donors: 2	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.