Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cnccc1S(=O)(=O)NCCc1ccccc1 |
MW: | 401.532 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 88.16 |
cLogP: | 3.5115 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAK-UNK-b2c98f02-1
0.628
MAK-UNK-b2c98f02-3
0.562
MAK-UNK-b2c98f02-4
0.560
TRY-UNI-714a760b-10
0.469
ALE-HEI-f28a35b5-6
0.469
EDG-MED-0da5ad92-4
0.469
CHA-KIN-ceadbd93-2
0.458
MAK-UNK-b2c98f02-9
0.429
DAR-DIA-03336633-5
0.414
MAK-UNK-b2c98f02-8
0.404
SID-ELM-2583a2cd-4
0.402
CHA-KIN-ceadbd93-6
0.400
MAK-UNK-b2c98f02-5
0.400
ALE-HEI-f28a35b5-9
0.393
AAR-POS-d2a4d1df-13
0.393
FRA-FAC-9ed5a63a-1
0.393
MAK-UNK-b2c98f02-7
0.392
MAK-UNK-194150d3-11
0.388
SID-ELM-2583a2cd-21
0.383
SID-ELM-2583a2cd-1
0.380
SID-ELM-2583a2cd-3
0.380
SID-ELM-8b394441-2
0.379
SID-ELM-8b394441-4
0.379
SID-ELM-2583a2cd-13
0.376
TRY-UNI-714a760b-1
0.375
MAK-UNK-b2c98f02-6
0.370
DAR-DIA-03336633-7
0.365
SID-ELM-2583a2cd-18
0.362
SID-ELM-2583a2cd-12
0.351
DUN-NEW-f8ce3686-23
0.350
MAK-UNK-31051d4e-3
0.347
SID-ELM-b654bfa2-21
0.344
MED-UNK-e6e8ef8a-8
0.343
SID-ELM-8b394441-16
0.341
MAK-UNK-07311286-1
0.341
ALP-POS-95b75b4d-7
0.337
SID-ELM-b654bfa2-8
0.333
SID-ELM-8b394441-17
0.330
SID-ELM-b654bfa2-9
0.330
SID-ELM-8b394441-18
0.326
MAK-UNK-07311286-2
0.326
SID-ELM-2583a2cd-16
0.326
SAD-SAT-24589cd1-3
0.323
MAK-UNK-27459e11-4
0.321
SID-ELM-b654bfa2-10
0.320
EDG-MED-0da5ad92-9
0.319
SID-ELM-2583a2cd-19
0.319
TRY-UNI-714a760b-5
0.318
IND-SYN-8bc6954a-2
0.315
SID-ELM-b654bfa2-12
0.313
SID-ELM-2583a2cd-15
0.312
DAR-DIA-03336633-9
0.311
MAK-UNK-31051d4e-1
0.311
MIH-UNI-6b9ca91a-6
0.310
SID-ELM-2583a2cd-2
0.309
AAR-POS-d2a4d1df-1
0.308
MAK-UNK-31051d4e-2
0.308
MAK-UNK-f2409524-35
0.307
SID-ELM-8b394441-20
0.307
SID-ELM-b654bfa2-13
0.306
DAR-DIA-03336633-1
0.306
HAN-NEW-5f56c3bc-3
0.306
MAT-POS-590ac91e-24
0.304
SID-ELM-b654bfa2-15
0.303
ALP-POS-0c2c77e1-1
0.303
MAT-POS-bb423b95-3
0.303
MAK-UNK-27459e11-2
0.302
SID-ELM-8b394441-22
0.297
DAR-DIA-03336633-2
0.296
MAK-UNK-27459e11-3
0.294
MAT-POS-590ac91e-23
0.293
ALP-POS-95b75b4d-5
0.293
MAT-POS-bb423b95-4
0.293
MAK-UNK-27459e11-1
0.291
SAM-UNK-2684b532-13
0.290
ALP-POS-95b75b4d-8
0.290
SID-ELM-8b394441-26
0.290
SID-ELM-8b394441-21
0.290
SID-ELM-b654bfa2-11
0.290
MAK-UNK-194150d3-14
0.289
MAK-UNK-31051d4e-4
0.288
ALE-UNK-fca05062-4
0.287
ALP-POS-95b75b4d-6
0.287
SID-ELM-b654bfa2-16
0.287
SID-ELM-8b394441-19
0.287
SID-ELM-8b394441-23
0.287
DAR-DIA-03336633-14
0.287
DAR-DIA-03336633-8
0.284
DAR-DIA-03336633-13
0.284
ALP-POS-95b75b4d-10
0.284
BEN-DND-93268d01-13
0.284
CHA-KIN-cd2ef30b-3
0.283
DAR-DIA-03336633-10
0.282
JOH-UNI-abfda500-7
0.280
FRA-FAC-9ed5a63a-2
0.280
MED-UNK-e6e8ef8a-2
0.280
JOH-UNI-abfda500-4
0.278
CHA-KIN-f512e507-1
0.278
SID-ELM-8b394441-25
0.277
ALP-POS-95b75b4d-4
0.277