MMsINC Database Search


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MMsINC code: MMs00291006

Type: Neutral
Formula: C₂₆H₂₀N₂O

SMILES:

OC(c1ccccc1)(c1ccccc1)c1nc2c(n1-c1ccccc1)cccc2

InChI:

InChI=1/C26H20N2O/c29-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)25-27-23-18-10-11-19-24(23)28(25)22-16-8-3-9-17-22/h1-19,29H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.766 kcal/mol

Physical Properties
Molecular Weight: 376.459 g/mol	logS: -6.66109	SlogP: 5.6212	Reactive groups: 0

Topological Properties
Globularity: 0.31263	Sterimol/B1: 4.33934	Sterimol/B2: 5.51356	Sterimol/B3: 6.13547
Sterimol/B4: 7.29135	Sterimol/L: 13.2492

Surface and Volume Properties
Accessible surface: 614.107	Positive charged surface: 357.258	Negative charged surface: 256.849	Volume: 379.375
Hydrophobic surface: 586.836	Hydrophilic surface: 27.271

Pharmacophoric Properties
Hydrogen bond donors: 1	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.