Type: Neutral
Formula: C18H21NO2S
SMILES: |
s1c2CCCCc2cc1C(=O)NCCc1ccccc1OC |
InChI: |
InChI=1/C18H21NO2S/c1-21-15-8-4-2-6-13(15)10-11-19-18(20)17-12-14-7-3-5-9-16(14)22-17/h2,4,6,8,12H,3,5,7,9-11H2,1H3,(H,19,20) |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 315.437 g/mol | logS: -4.30624 | SlogP: 3.60791 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.0506849 | Sterimol/B1: 2.39102 | Sterimol/B2: 3.89378 | Sterimol/B3: 3.91266 |
Sterimol/B4: 7.29809 | Sterimol/L: 18.4698 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 594.388 | Positive charged surface: 406.386 | Negative charged surface: 188.002 | Volume: 310.625 |
Hydrophobic surface: 544.208 | Hydrophilic surface: 50.18 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 0 | | | |
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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. | | | |