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MMsINC code: MMs00834531

Type: Neutral
Formula: C₂₀H₂₆N₂O₂

SMILES:

O(CC)c1cc2c(cc1OC)C(NCC2)c1ccc(N(C)C)cc1

InChI:

InChI=1/C20H26N2O2/c1-5-24-19-12-15-10-11-21-20(17(15)13-18(19)23-4)14-6-8-16(9-7-14)22(2)3/h6-9,12-13,20-21H,5,10-11H2,1-4H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.678 kcal/mol

Physical Properties
Molecular Weight: 326.44 g/mol	logS: -3.43253	SlogP: 3.49047	Reactive groups: 0

Topological Properties
Globularity: 0.112099	Sterimol/B1: 3.17672	Sterimol/B2: 3.48018	Sterimol/B3: 4.96073
Sterimol/B4: 8.3576	Sterimol/L: 17.102

Surface and Volume Properties
Accessible surface: 605.853	Positive charged surface: 498.971	Negative charged surface: 106.882	Volume: 338.5
Hydrophobic surface: 546.386	Hydrophilic surface: 59.467

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00834532
CHEMDIV-ZINC00139978