Type: Neutral
Formula: C18H28N2O
SMILES: |
O=C(NC1CCCC(C)C1C)CNCCc1ccccc1 |
InChI: |
InChI=1/C18H28N2O/c1-14-7-6-10-17(15(14)2)20-18(21)13-19-12-11-16-8-4-3-5-9-16/h3-5,8-9,14-15,17,19H,6-7,10-13H2,1-2H3,(H,20,21)/t14-,15+,17-/m0/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 288.435 g/mol | logS: -3.54755 | SlogP: 2.75957 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.0592272 | Sterimol/B1: 2.52522 | Sterimol/B2: 3.10468 | Sterimol/B3: 5.2733 |
Sterimol/B4: 5.72189 | Sterimol/L: 18.2273 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 587.55 | Positive charged surface: 410.627 | Negative charged surface: 176.923 | Volume: 316.875 |
Hydrophobic surface: 502.777 | Hydrophilic surface: 84.773 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 3 | | | |
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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. | | | |