MMsINC Database Search


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MMsINC code: MMs00940149

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O(C)c1cc(ccc1)C(c1c2c([nH]c1C)cccc2)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C26H24N2O/c1-16-24(20-11-4-6-13-22(20)27-16)26(18-9-8-10-19(15-18)29-3)25-17(2)28-23-14-7-5-12-21(23)25/h4-15,26-28H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.373 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -6.08723	SlogP: 6.45484	Reactive groups: 0

Topological Properties
Globularity: 0.417629	Sterimol/B1: 2.22982	Sterimol/B2: 5.49345	Sterimol/B3: 6.36717
Sterimol/B4: 8.31387	Sterimol/L: 14.1853

Surface and Volume Properties
Accessible surface: 625.8	Positive charged surface: 402.775	Negative charged surface: 220.803	Volume: 384.875
Hydrophobic surface: 564.298	Hydrophilic surface: 61.502

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.