MMsINC Database Search


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MMsINC code: MMs00514933

Type: Neutral
Formula: C₂₆H₂₂N₂O

SMILES:

O(Cc1nc2c(n1Cc1cc3c(cc1)cccc3)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C26H22N2O/c1-19-10-14-23(15-11-19)29-18-26-27-24-8-4-5-9-25(24)28(26)17-20-12-13-21-6-2-3-7-22(21)16-20/h2-16H,17-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.213 kcal/mol

Physical Properties
Molecular Weight: 378.475 g/mol	logS: -7.46839	SlogP: 6.65802	Reactive groups: 0

Topological Properties
Globularity: 0.0864965	Sterimol/B1: 3.19928	Sterimol/B2: 3.84801	Sterimol/B3: 3.9222
Sterimol/B4: 8.91976	Sterimol/L: 16.6255

Surface and Volume Properties
Accessible surface: 634.008	Positive charged surface: 352.383	Negative charged surface: 271.465	Volume: 382.875
Hydrophobic surface: 588.013	Hydrophilic surface: 45.995

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.