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MMsINC code: MMs02862119

Type: Neutral
Formula: C₂₅H₂₆N₂O

SMILES:

O(Cc1ccccc1)c1cc2c([nH]cc2CCN(Cc2ccccc2)C)cc1

InChI:

InChI=1/C25H26N2O/c1-27(18-20-8-4-2-5-9-20)15-14-22-17-26-25-13-12-23(16-24(22)25)28-19-21-10-6-3-7-11-21/h2-13,16-17,26H,14-15,18-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.7312 kcal/mol

Physical Properties
Molecular Weight: 370.496 g/mol	logS: -5.19388	SlogP: 5.95417	Reactive groups: 0

Topological Properties
Globularity: 0.0388349	Sterimol/B1: 2.7187	Sterimol/B2: 4.53733	Sterimol/B3: 5.19095
Sterimol/B4: 7.77918	Sterimol/L: 18.9349

Surface and Volume Properties
Accessible surface: 700.378	Positive charged surface: 441.463	Negative charged surface: 254.714	Volume: 387.75
Hydrophobic surface: 637.279	Hydrophilic surface: 63.099

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: 1

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Ions/Tautomers related molecules

MMs02862120
PUBCHEM-ZINC02037694