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MMsINC code: MMs02333554

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

O(Cc1ccccc1)c1cc(CC2N(CCc3c2cccc3)C)c(N)cc1

InChI:

InChI=1/C24H26N2O/c1-26-14-13-19-9-5-6-10-22(19)24(26)16-20-15-21(11-12-23(20)25)27-17-18-7-3-2-4-8-18/h2-12,15,24H,13-14,16-17,25H2,1H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.409 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -4.80873	SlogP: 4.98134	Reactive groups: 0

Topological Properties
Globularity: 0.0800535	Sterimol/B1: 2.48402	Sterimol/B2: 3.67481	Sterimol/B3: 5.2196
Sterimol/B4: 5.87259	Sterimol/L: 18.9397

Surface and Volume Properties
Accessible surface: 647.453	Positive charged surface: 414.935	Negative charged surface: 232.518	Volume: 370.5
Hydrophobic surface: 596.504	Hydrophilic surface: 50.949

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02333555
NCID-ZINC01704883