MMsINC Database Search


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MMsINC code: MMs00536660

Type: Neutral
Formula: C₂₆H₂₀N₂O₂

SMILES:

o1c2c(nc1-c1cc(C)c(cc1)C)cc(\N=C\c1c3c(ccc1O)cccc3)cc2

InChI:

InChI=1/C26H20N2O2/c1-16-7-8-19(13-17(16)2)26-28-23-14-20(10-12-25(23)30-26)27-15-22-21-6-4-3-5-18(21)9-11-24(22)29/h3-15,29H,1-2H3/b27-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.678 kcal/mol

Physical Properties
Molecular Weight: 392.458 g/mol	logS: -9.08906	SlogP: 6.72104	Reactive groups: 0

Topological Properties
Globularity: 0.0189557	Sterimol/B1: 2.40332	Sterimol/B2: 4.13278	Sterimol/B3: 4.219
Sterimol/B4: 5.58149	Sterimol/L: 21.6703

Surface and Volume Properties
Accessible surface: 695.398	Positive charged surface: 392.467	Negative charged surface: 292.16	Volume: 386.625
Hydrophobic surface: 607.408	Hydrophilic surface: 87.99

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.