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MMsINC code: MMs03319985

Type: Neutral
Formula: C₂₀H₂₆N₂O

SMILES:

O(C(c1ccccc1)c1ccccc1)CC1N(CCN(C1)C)C

InChI:

InChI=1/C20H26N2O/c1-21-13-14-22(2)19(15-21)16-23-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.183 kcal/mol

Physical Properties
Molecular Weight: 310.441 g/mol	logS: -3.2136	SlogP: 3.1339	Reactive groups: 0

Topological Properties
Globularity: 0.238845	Sterimol/B1: 3.2569	Sterimol/B2: 4.23566	Sterimol/B3: 5.6855
Sterimol/B4: 7.10245	Sterimol/L: 13.058

Surface and Volume Properties
Accessible surface: 585.251	Positive charged surface: 434.265	Negative charged surface: 150.985	Volume: 334.75
Hydrophobic surface: 580.739	Hydrophilic surface: 4.5119999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs03319986
PUBCHEM-ZINC05599886