Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)N(CNCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)c2ccncc21)c1cccnc1 |
MW: | 575.626 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 127.84 |
cLogP: | 3.4434 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
non_ring_CH2O_acetal
het-C-het not in ring
Activated haloaromatics
acyclic N-C-N
Long aliphatic chain
Hetero_hetero
MAK-MCD-5988fef6-1
0.529
MAC-MCD-76766525-1
0.423
KAY-MCD-59dc2eb3-1
0.398
SIM-SYN-a98e6a07-1
0.385
WIL-UNI-5578df48-8
0.370
MIK-MCD-9143301b-1
0.369
JOE-SYG-2c9a1216-2
0.368
MAK-MCD-2210d2de-1
0.340
SIM-SYN-a98e6a07-2
0.333
WIL-UNI-5578df48-7
0.319
DAR-DIA-fc970077-9
0.315
ZAC-MCD-b48cf8fd-1
0.309
ASH-UNK-40b46b30-3
0.308
WIL-UNI-5578df48-6
0.303
DRE-WAB-9b73098a-1
0.297
WIL-UNI-5578df48-5
0.288
KEN-MCD-4729dc98-1
0.284
WIL-UNI-5578df48-3
0.282
SIM-SYN-a98e6a07-3
0.280
ABB-MCD-f549d731-1
0.277
MED-UNK-40f14d64-1
0.271
MED-UNK-55e26634-1
0.271
DAR-DIA-fc970077-14
0.271
MAK-UNK-8fdbca50-16
0.271
KEI-TRE-d5e2018a-25
0.268
IND-SYN-6c8299e8-7
0.268
MED-UNK-cd1acb4a-1
0.268
ERI-UCB-ce40166b-23
0.264
JOR-UNI-2fc98d0b-10
0.263
ALP-POS-ced8ea4d-28
0.261
KEI-TRE-d5e2018a-22
0.260
MAK-UNK-8fdbca50-28
0.260
BEN-DND-03ad4429-4
0.258
MAK-UNK-009ebe36-2
0.258
ASH-UNK-40b46b30-1
0.258
JOR-UNI-2fc98d0b-4
0.258
JOR-UNI-2fc98d0b-17
0.258
MAK-UNK-009ebe36-7
0.258
JOR-UNI-61e7b1d5-26
0.257
ALP-POS-ced8ea4d-59
0.257
MAK-UNK-8fdbca50-32
0.256
MAR-TRE-f6f5f473-29
0.256
KEI-TRE-d5e2018a-28
0.256
MIK-MCD-8542a490-1
0.256
NIM-UNI-6eebfcd4-1
0.255
WIL-UNI-5578df48-1
0.254
JOR-UNI-2fc98d0b-13
0.254
MAK-UNK-702fb7d3-5
0.253
AAR-POS-d2a4d1df-23
0.252
BEN-DND-76ad4ac9-6
0.252
DAN-MCD-50ec7d1f-1
0.252
MAR-TRE-6a44bbf2-18
0.252
BEN-DND-03406596-10
0.252
LON-WEI-8f408cad-4
0.252
MAR-TRE-2fd8122f-37
0.252
EMI-TUK-a58865cc-7
0.252
JOR-UNI-2fc98d0b-16
0.252
JOR-UNI-61e7b1d5-12
0.252
MAK-UNK-8fdbca50-1
0.252
ALP-POS-ced8ea4d-41
0.250
MAK-UNK-8fdbca50-36
0.250
MAK-UNK-8fdbca50-37
0.250
MAK-UNK-702fb7d3-9
0.250
EMI-TUK-a58865cc-6
0.250
JOR-UNI-2fc98d0b-9
0.250
JOR-UNI-61e7b1d5-30
0.250
ALP-POS-e980f4ea-28
0.248
JOR-UNI-2fc98d0b-1
0.248
JOR-UNI-2fc98d0b-11
0.248
JOR-UNI-2fc98d0b-3
0.248
JOR-UNI-2fc98d0b-5
0.248
EMI-TUK-a58865cc-4
0.248
EMI-TUK-a58865cc-2
0.248
BEN-DND-76ad4ac9-14
0.248
BEN-DND-03406596-3
0.248
MAK-UNK-8fdbca50-30
0.247
JOR-UNI-61e7b1d5-24
0.246
EMI-TUK-a58865cc-1
0.246
EMI-TUK-a58865cc-5
0.246
JAN-GHE-83b26c96-16
0.246
MAK-UNK-702fb7d3-17
0.245
MAK-UNK-8fdbca50-17
0.245
JOR-UNI-2fc98d0b-6
0.244
JOR-UNI-2fc98d0b-14
0.244
JOR-UNI-2fc98d0b-2
0.244
EMI-TUK-a58865cc-3
0.244
MAK-UNK-702fb7d3-7
0.244
ALP-POS-e980f4ea-59
0.243
WIL-UNI-5578df48-2
0.243
MAK-UNK-de9577cf-7
0.243
JOR-UNI-61e7b1d5-10
0.243
KEI-TRE-d5e2018a-71
0.242
MAK-UNK-702fb7d3-1
0.242
ALP-UNI-fe744232-13
0.242
BRU-THA-92256091-87
0.242
MAK-UNK-8fdbca50-38
0.242
ALP-POS-ced8ea4d-40
0.242
ALP-POS-ced8ea4d-64
0.241
MAR-TRE-3e4e6814-80
0.241
JOR-UNI-61e7b1d5-28
0.241