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MMsINC code: MMs03020591

Type: Neutral
Formula: C₂₀H₂₆N₂O

SMILES:

O=C(NCc1ccccc1C)C(N(CC)CC)c1ccccc1

InChI:

InChI=1/C20H26N2O/c1-4-22(5-2)19(17-12-7-6-8-13-17)20(23)21-15-18-14-10-9-11-16(18)3/h6-14,19H,4-5,15H2,1-3H3,(H,21,23)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.778 kcal/mol

Physical Properties
Molecular Weight: 310.441 g/mol	logS: -4.32514	SlogP: 4.05622	Reactive groups: 0

Topological Properties
Globularity: 0.100307	Sterimol/B1: 2.52766	Sterimol/B2: 3.03383	Sterimol/B3: 4.35101
Sterimol/B4: 8.27665	Sterimol/L: 14.9709

Surface and Volume Properties
Accessible surface: 571.849	Positive charged surface: 378.43	Negative charged surface: 193.418	Volume: 330.875
Hydrophobic surface: 517.327	Hydrophilic surface: 54.522

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

MMs03020592
PUBCHEM-ZINC03607571