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MMsINC code: MMs02308841

Type: Neutral
Formula: C₂₀H₂₆N₂O₂

SMILES:

O(C(Cc1ccccc1)CN(CC)CC)C(=O)Nc1ccccc1

InChI:

InChI=1/C20H26N2O2/c1-3-22(4-2)16-19(15-17-11-7-5-8-12-17)24-20(23)21-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,21,23)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8191 kcal/mol

Physical Properties
Molecular Weight: 326.44 g/mol	logS: -4.04547	SlogP: 4.18817	Reactive groups: 0

Topological Properties
Globularity: 0.265553	Sterimol/B1: 2.54021	Sterimol/B2: 4.17082	Sterimol/B3: 6.27906
Sterimol/B4: 7.18528	Sterimol/L: 13.5997

Surface and Volume Properties
Accessible surface: 585.41	Positive charged surface: 387.16	Negative charged surface: 198.25	Volume: 341.5
Hydrophobic surface: 523.282	Hydrophilic surface: 62.128

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

MMs02308842
NCID-ZINC01672761