Type: Neutral
Formula: C19H26N2O2
SMILES: |
O=C1N(CCC1)c1cc(ccc1)C(=O)NC1CCCC(C)C1C |
InChI: |
InChI=1/C19H26N2O2/c1-13-6-3-9-17(14(13)2)20-19(23)15-7-4-8-16(12-15)21-11-5-10-18(21)22/h4,7-8,12-14,17H,3,5-6,9-11H2,1-2H3,(H,20,23)/t13-,14-,17-/m1/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 314.429 g/mol | logS: -4.04777 | SlogP: 3.3679 | Reactive groups: 0 |
| | | |
Topological Properties | | | |
Globularity: 0.0610448 | Sterimol/B1: 2.43263 | Sterimol/B2: 3.4043 | Sterimol/B3: 5.21339 |
Sterimol/B4: 6.0398 | Sterimol/L: 17.2849 | | | |
| | | |
Surface and Volume Properties | | | |
Accessible surface: 578.724 | Positive charged surface: 391.681 | Negative charged surface: 187.044 | Volume: 320.375 |
Hydrophobic surface: 474.527 | Hydrophilic surface: 104.197 | | |
| | | |
Pharmacophoric Properties | | | |
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 3 | | | |
| | | |
Drug- and Lead-like Properties | | | |
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | |
|
search links for this molecule: |
|
|
|
|
Ions/Tautomers related molecules: no related molecules available. | | | |