MMsINC Database Search


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MMsINC code: MMs00863084

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(CCn1c2c(nc1Cc1ccc(OC)cc1)cccc2)c1cc(ccc1)C

InChI:

InChI=1/C24H24N2O2/c1-18-6-5-7-21(16-18)28-15-14-26-23-9-4-3-8-22(23)25-24(26)17-19-10-12-20(27-2)13-11-19/h3-13,16H,14-15,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3369 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.70236	SlogP: 5.28949	Reactive groups: 0

Topological Properties
Globularity: 0.0749063	Sterimol/B1: 2.60888	Sterimol/B2: 2.8036	Sterimol/B3: 4.75582
Sterimol/B4: 10.3984	Sterimol/L: 18.6148

Surface and Volume Properties
Accessible surface: 685.575	Positive charged surface: 435.936	Negative charged surface: 249.639	Volume: 378.5
Hydrophobic surface: 648.31	Hydrophilic surface: 37.265

Pharmacophoric Properties
Hydrogen bond donors: 0	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.