Molecular Properties | |
SMILES: | Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3cc(O)c(N)c4ccccc34)CC2)c1 |
MW: | 442.497 |
Fraction sp3: | 0.19 |
HBA: | 7 |
HBD: | 4 |
Rotatable Bonds: | 3 |
TPSA: | 150.19 |
cLogP: | 1.5621 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
catechol
hydroquinone
aniline
Hetero_hetero
analine
NAU-LAT-c9bfe74c-3
0.575
NAU-LAT-c9bfe74c-1
0.516
BEN-DND-7e92b6ca-7
0.344
MAT-POS-590ac91e-70
0.333
MAT-POS-590ac91e-68
0.320
MAT-POS-590ac91e-58
0.317
KRI-MAR-d2e3ef86-4
0.314
MAT-POS-916a2c5a-3
0.314
MAT-POS-590ac91e-56
0.314
MAT-POS-590ac91e-62
0.306
MAT-POS-590ac91e-64
0.302
DRR-IMP-db50bf6e-4
0.297
MAT-POS-590ac91e-69
0.292
MAT-POS-590ac91e-57
0.288
MAT-POS-590ac91e-61
0.284
MAR-TRE-6a44bbf2-8
0.284
AAR-POS-d2a4d1df-34
0.284
DRR-IMP-dff87f5e-5
0.284
NAU-LAT-c9bfe74c-2
0.278
MAK-UNK-7c9d1431-12
0.276
MAT-POS-590ac91e-63
0.275
MAT-POS-590ac91e-67
0.274
MAT-POS-590ac91e-66
0.274
ALP-POS-3fc1724e-3
0.267
JAN-GHE-4287bd1a-1
0.267
MAT-POS-590ac91e-59
0.266
BEN-DND-76ad4ac9-11
0.266
BEN-DND-03406596-9
0.266
MAR-TRE-2fd8122f-86
0.263
BEN-DND-7e92b6ca-6
0.260
MAK-UNK-7264f48c-1
0.260
PEI-IMP-3d837503-2
0.259
MAR-TRE-6a44bbf2-7
0.258
KEN-MCD-6084b33e-1
0.258
AAR-POS-d2a4d1df-37
0.258
BEN-DND-7e92b6ca-16
0.257
SAD-SAT-9a6c5cf3-10
0.257
SAD-SAT-2ceae68f-3
0.257
MAR-TRE-3159af1a-65
0.255
MAT-POS-590ac91e-60
0.255
SAD-SAT-2ceae68f-7
0.252
MAT-POS-590ac91e-65
0.252
RHE-UNK-eb059eb9-1
0.250
AAR-POS-0daf6b7e-3
0.250
MAK-UNK-6ca90168-2
0.250
JAG-SYN-9c2cd0bd-1
0.250
MED-UNK-7e7dab56-3
0.250
MAR-TRE-6a44bbf2-13
0.250
AAR-POS-d2a4d1df-36
0.250
KRI-MAR-d2e3ef86-6
0.250
SAD-SAT-bc31ec01-10
0.250
ERI-UCB-a0b0dbcb-2
0.250
SAD-SAT-2ceae68f-4
0.250
SAD-SAT-f2e2579e-6
0.250
NAU-LAT-f723e322-5
0.250
WAR-XCH-79d12f6e-6
0.250
BEN-DND-7e92b6ca-13
0.248
BEN-DND-7e92b6ca-14
0.248
PEI-IMP-ca0b2813-4
0.248
KAT-UNK-b2a0d5b1-1
0.247
MAK-UNK-6435e6c2-6
0.247
MAR-TRE-3159af1a-81
0.245
PEI-IMP-668afc53-1
0.245
BEN-DND-7e92b6ca-10
0.245
KRI-MAR-d2e3ef86-5
0.245
MAR-TRE-3159af1a-36
0.245
MAR-TRE-3159af1a-43
0.245
MAR-TRE-6a44bbf2-65
0.245
TAT-ENA-80bfd3e5-43
0.245
MAK-UNK-7c9d1431-11
0.245
DAN-MCD-50ec7d1f-1
0.244
BEN-DND-03ad4429-3
0.244
MAK-UNK-10dfa458-5
0.244
CLI-UNI-032f7715-3
0.244
MAT-POS-54c4bf04-3
0.243
BEN-DND-03406596-2
0.242
BEN-DND-76ad4ac9-12
0.242
MAR-TRE-6a44bbf2-21
0.241
PEI-IMP-3d837503-4
0.241
MAK-UNK-7c9d1431-9
0.241
MAK-UNK-6435e6c2-5
0.241
ERI-UCB-a0b0dbcb-4
0.241
ERI-UCB-a0b0dbcb-12
0.241
MIC-UNK-b9827f26-1
0.241
UNK-UNK-2ede4078-92
0.240
BEN-DND-03ad4429-4
0.240
BEN-DND-7e92b6ca-8
0.240
EDJ-MED-78f964c8-1
0.240
MAT-POS-916a2c5a-4
0.240
BEN-DND-03406596-3
0.240
BEN-DND-76ad4ac9-14
0.240
JAG-SYN-9c2cd0bd-12
0.239
JAG-SYN-9c2cd0bd-13
0.239
ANT-OPE-7824651a-2
0.239
ERI-UCB-a0b0dbcb-14
0.239
SAD-SAT-b55127ae-2
0.238
MAR-TRE-3159af1a-67
0.238
UNK-UNK-2ede4078-96
0.238
MAK-UNK-6ca90168-1
0.237
DAR-DIA-8e329c92-11
0.236