Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](CCc2ccccc2O)C1 |
MW: | 457.379 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 77.92 |
cLogP: | 3.1187 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
SAL-INS-1ea6d4ee-3
0.671
AAR-POS-d2a4d1df-44
0.405
MAK-UNK-3f402c2b-15
0.376
DUN-NEW-f8ce3686-22
0.341
JOE-SYG-2c9a1216-1
0.330
MIH-UNI-e573136b-5
0.330
MAK-UNK-6ca90168-9
0.326
MAC-MCD-76766525-1
0.320
MED-COV-4280ac29-5
0.317
MAK-UNK-7c9d1431-12
0.314
SAD-SAT-c989feaa-4
0.312
SAD-SAT-c989feaa-9
0.311
MAK-UNK-7c9d1431-9
0.310
MAR-TRE-6a44bbf2-21
0.310
MAK-UNK-6ca90168-10
0.310
SAD-SAT-c989feaa-10
0.309
MAK-UNK-7c9d1431-17
0.307
JOH-UNI-0e1753c1-5
0.306
DAN-LON-a5fc619e-3
0.306
MAK-UNK-7c9d1431-10
0.303
MAK-UNK-10799360-35
0.302
MAK-UNK-7c9d1431-3
0.301
SAL-INS-1ea6d4ee-1
0.301
DAR-DIA-fb20be43-9
0.300
SAD-SAT-c989feaa-5
0.296
MIH-UNI-e573136b-4
0.293
AAR-POS-d2a4d1df-34
0.292
MAK-UNK-c74072e5-8
0.292
MAR-TRE-6a44bbf2-8
0.292
DUN-NEW-f8ce3686-3
0.292
SAD-SAT-c989feaa-8
0.290
BEN-DND-362d364a-2
0.289
MAK-UNK-7c9d1431-29
0.289
MAR-TRE-6a44bbf2-32
0.289
ABB-MCD-f8003a30-1
0.289
MAK-UNK-af83ef51-2
0.289
BEN-DND-362d364a-4
0.288
AAR-POS-d2a4d1df-27
0.287
MAT-POS-ee51dedd-2
0.287
KAY-MCD-d0fe5261-1
0.287
MAR-LAB-efb042c5-5
0.287
PEI-IMP-ca0b2813-2
0.287
MAR-TRE-6a44bbf2-58
0.287
MAR-TRE-6a44bbf2-68
0.287
THO-SYG-f9b2970d-2
0.287
SWA-SYN-6423ea73-2
0.286
GIA-UNK-7337c2f3-1
0.286
SWA-SYN-d2e6fa14-2
0.286
MAR-TRE-04c86cea-17
0.284
MAR-TRE-6a44bbf2-78
0.284
MAK-UNK-7c9d1431-13
0.284
SWA-SYN-d2e6fa14-1
0.284
SWA-SYN-6423ea73-1
0.284
BEN-DND-362d364a-1
0.283
MAK-UNK-7c9d1431-22
0.283
SAD-SAT-f2e2579e-6
0.282
SAD-SAT-581007d4-3
0.280
AHN-SAT-de2502ba-7
0.279
MAK-UNK-69bf97dd-7
0.279
MED-COV-4280ac29-37
0.278
MAK-UNK-7c9d1431-6
0.278
MAK-UNK-7c9d1431-27
0.278
PEI-IMP-ca0b2813-1
0.278
LON-WEI-120e5cf5-20
0.278
STU-CHA-0be58c98-1
0.277
STE-KUL-2e0d2e88-5
0.277
DAN-LON-a5fc619e-6
0.277
SAD-SAT-bc31ec01-5
0.276
SEA-TRI-f744d433-1
0.275
SAD-SAT-c989feaa-1
0.275
BEN-DND-76ad4ac9-11
0.274
DAN-LON-a5fc619e-1
0.274
LON-WEI-8f408cad-3
0.273
SAD-SAT-3a925b8b-2
0.273
SAD-SAT-f2e2579e-5
0.273
MAR-TRE-6a44bbf2-52
0.273
AAR-POS-d2a4d1df-22
0.273
MAK-UNK-69bf97dd-8
0.272
DUN-NEW-f8ce3686-2
0.272
TAM-UNI-d1c3dd9f-9
0.272
AHN-SAT-de2502ba-3
0.272
SAD-SAT-581007d4-6
0.272
ANT-DIA-b7f58f21-3
0.272
MAK-UNK-3f402c2b-11
0.271
BEN-DND-362d364a-3
0.270
MAK-UNK-bae89c02-4
0.270
MAR-TRE-6a44bbf2-4
0.270
AAR-POS-d2a4d1df-32
0.270
MAK-UNK-7c9d1431-20
0.270
MAK-UNK-7c9d1431-23
0.270
LON-WEI-8f408cad-2
0.270
MAR-TRE-6a44bbf2-28
0.270
MAK-UNK-3f402c2b-5
0.269
BEN-DND-362d364a-5
0.268
SAD-SAT-5b1897b2-10
0.267
AAR-POS-0daf6b7e-16
0.267
NAU-LAT-f723e322-6
0.267
MAR-TRE-6a44bbf2-18
0.267
STU-CHA-0f79177c-1
0.267
LON-WEI-8f408cad-4
0.267