Molecular Properties | |
SMILES: | N#Cc1ccc(CNC(=O)N2CCO[C@H](Cc3cc(S(=O)(=O)N4CCN(C(=O)CCl)CC4)ccc3Cl)C2)cc1 |
MW: | 594.521 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 123.05 |
cLogP: | 2.43648 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
PED-UNI-b79f0f51-1
0.812
SWA-SYN-6423ea73-7
0.478
SWA-SYN-d2e6fa14-7
0.478
PED-UNI-a9f4e7c0-1
0.459
DRR-IMP-dff87f5e-9
0.457
JAY-UNK-11f5bdbd-1
0.419
AAR-POS-d2a4d1df-21
0.411
MAR-TRE-6a44bbf2-38
0.406
MAK-UNK-7c9d1431-1
0.406
MAR-TRE-6a44bbf2-36
0.398
MAK-UNK-7c9d1431-2
0.398
MAK-UNK-7c9d1431-10
0.392
SAD-SAT-f2e2579e-10
0.383
MAK-UNK-7c9d1431-8
0.381
MAR-TRE-6a44bbf2-26
0.381
MAK-UNK-7c9d1431-19
0.366
MAR-TRE-6a44bbf2-32
0.364
DRR-IMP-dff87f5e-8
0.364
ABB-MCD-f8003a30-1
0.364
MAK-UNK-7c9d1431-3
0.359
DRR-IMP-dff87f5e-2
0.359
DAV-UNK-07f953a2-3
0.358
MAR-TRE-6a44bbf2-18
0.357
AAR-POS-d2a4d1df-23
0.357
LON-WEI-8f408cad-4
0.357
BEN-DND-03406596-10
0.357
MAK-UNK-7c9d1431-22
0.356
MAR-TRE-6a44bbf2-31
0.356
MAK-UNK-7c9d1431-5
0.356
AAR-POS-d2a4d1df-44
0.354
DRR-IMP-38dce17f-7
0.354
DRR-IMP-dff87f5e-3
0.354
MAK-UNK-6ca90168-14
0.354
MAK-UNK-c74072e5-8
0.354
MAK-UNK-7c9d1431-6
0.354
TAT-ENA-80bfd3e5-25
0.346
MAK-UNK-7c9d1431-4
0.346
PEI-IMP-ca0b2813-3
0.346
MAK-UNK-7c9d1431-7
0.343
MAR-TRE-6a44bbf2-49
0.343
SAD-SAT-bc31ec01-5
0.340
MAK-UNK-7c9d1431-17
0.340
MAK-UNK-7c9d1431-11
0.340
MAR-TRE-6a44bbf2-65
0.340
TAT-ENA-80bfd3e5-43
0.340
SAD-SAT-f2e2579e-7
0.339
DRR-IMP-dff87f5e-1
0.337
MAR-TRE-6a44bbf2-58
0.337
MAR-LAB-efb042c5-5
0.337
AAR-POS-d2a4d1df-27
0.337
KAY-MCD-d0fe5261-1
0.337
DRR-IMP-dff87f5e-7
0.337
SAD-SAT-3a925b8b-2
0.337
MAR-TRE-6a44bbf2-68
0.337
SAD-SAT-bc31ec01-4
0.337
IND-SYN-6c8299e8-2
0.333
MAR-TRE-6a44bbf2-78
0.333
MAK-UNK-7c9d1431-13
0.333
DAR-DIA-fb20be43-16
0.331
TAM-UNI-d1c3dd9f-1
0.331
MAR-TRE-6a44bbf2-21
0.330
MAK-UNK-7c9d1431-9
0.330
DAR-DIA-fb20be43-17
0.328
DRR-IMP-dff87f5e-6
0.327
PEI-IMP-ca0b2813-1
0.327
PEI-IMP-ca0b2813-2
0.323
MAT-POS-ee51dedd-2
0.323
MAK-UNK-c74072e5-9
0.322
MED-COV-4280ac29-5
0.322
BEN-DND-03406596-3
0.321
BEN-DND-76ad4ac9-14
0.321
PAT-GYR-359dbb24-2
0.320
SAD-SAT-f2e2579e-2
0.320
MAK-UNK-ec98eaf6-25
0.315
AAR-POS-d2a4d1df-37
0.314
PAT-GYR-359dbb24-4
0.314
MAR-TRE-6a44bbf2-7
0.314
PAT-GYR-359dbb24-1
0.314
MAK-UNK-987948f6-3
0.313
BAP-BUY-55f8bcae-1
0.311
MAK-UNK-d4768348-1
0.310
AAR-POS-0daf6b7e-15
0.310
SAD-SAT-3a925b8b-9
0.310
MAK-UNK-f983951f-23
0.309
MAK-UNK-69bf97dd-9
0.307
SAD-SAT-3a925b8b-3
0.307
PAU-WEI-f734c343-2
0.305
DRR-IMP-dff87f5e-4
0.303
SAD-SAT-bc31ec01-8
0.303
MAK-UNK-69bf97dd-5
0.303
BEN-DND-03406596-8
0.302
SAD-SAT-9a6c5cf3-5
0.301
AHN-SAT-de2502ba-16
0.299
DRR-IMP-db50bf6e-5
0.297
AAR-POS-d2a4d1df-22
0.297
MAR-TRE-6a44bbf2-52
0.297
LON-WEI-8f408cad-3
0.297
SCO-VAN-260d9628-4
0.297
TAM-UNI-d1c3dd9f-12
0.296
AAR-POS-d2a4d1df-36
0.295