Type: Neutral
Formula: C15H21NO2
SMILES: |
O(C(=O)Nc1ccccc1C)C1CCCCC1C |
InChI: |
InChI=1/C15H21NO2/c1-11-7-3-5-9-13(11)16-15(17)18-14-10-6-4-8-12(14)2/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3,(H,16,17)/t12-,14+/m0/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 247.338 g/mol | logS: -3.49717 | SlogP: 4.12222 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.103772 | Sterimol/B1: 2.12342 | Sterimol/B2: 2.85816 | Sterimol/B3: 4.96184 |
Sterimol/B4: 6.48872 | Sterimol/L: 14.1464 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 496.598 | Positive charged surface: 338.544 | Negative charged surface: 158.054 | Volume: 257.25 |
Hydrophobic surface: 445.825 | Hydrophilic surface: 50.773 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 1 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 2 | | | |
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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. | | | |