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MMsINC code: MMs03213155

Type: Neutral
Formula: C₂₀H₂₆N₂O

SMILES:

Oc1cc2CCc3c(N(c2cc1)CC(CN(C)C)C)cccc3

InChI:

InChI=1/C20H26N2O/c1-15(13-21(2)3)14-22-19-7-5-4-6-16(19)8-9-17-12-18(23)10-11-20(17)22/h4-7,10-12,15,23H,8-9,13-14H2,1-3H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.922 kcal/mol

Physical Properties
Molecular Weight: 310.441 g/mol	logS: -3.29453	SlogP: 3.82654	Reactive groups: 0

Topological Properties
Globularity: 0.233931	Sterimol/B1: 3.38927	Sterimol/B2: 3.79868	Sterimol/B3: 5.15467
Sterimol/B4: 8.36901	Sterimol/L: 14.1555

Surface and Volume Properties
Accessible surface: 564.95	Positive charged surface: 412.209	Negative charged surface: 152.742	Volume: 328.75
Hydrophobic surface: 496.606	Hydrophilic surface: 68.344

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

MMs03213156
PUBCHEM-ZINC05141521