MMsINC Database Search


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MMsINC code: MMs02842093

Type: Neutral
Formula: C₂₀H₂₆N₂O

SMILES:

O(C(c1ccc(cc1)C)c1ccccc1)CCNN1CCCC1

InChI:

InChI=1/C20H26N2O/c1-17-9-11-19(12-10-17)20(18-7-3-2-4-8-18)23-16-13-21-22-14-5-6-15-22/h2-4,7-12,20-21H,5-6,13-16H2,1H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6088 kcal/mol

Physical Properties
Molecular Weight: 310.441 g/mol	logS: -3.65352	SlogP: 3.79692	Reactive groups: 0

Topological Properties
Globularity: 0.120419	Sterimol/B1: 2.21967	Sterimol/B2: 3.99664	Sterimol/B3: 4.20882
Sterimol/B4: 10.4116	Sterimol/L: 14.9893

Surface and Volume Properties
Accessible surface: 629.886	Positive charged surface: 444.309	Negative charged surface: 185.577	Volume: 337
Hydrophobic surface: 620.874	Hydrophilic surface: 9.0119999999999

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: no related molecules available.