Molecular Properties | |
SMILES: | Cc1ccc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1Cl |
MW: | 382.11 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.76 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
cumarine
Filter14_thio_oxopyrylium_salt
UNK-UNK-2ede4078-92
0.358
UNK-UNK-2ede4078-76
0.356
MAT-POS-54c4bf04-3
0.347
MAT-POS-b5746674-77
0.344
UNK-UNK-2ede4078-93
0.330
ERI-UCB-a0b0dbcb-2
0.327
UNK-UNK-2ede4078-15
0.320
MAT-POS-450cb4f9-2
0.310
UNK-UNK-2ede4078-99
0.309
PET-UNK-82544c07-1
0.301
BEN-DND-7e92b6ca-14
0.299
MAT-POS-3b536971-2
0.298
KRI-MAR-d2e3ef86-13
0.297
BEN-DND-7e92b6ca-11
0.297
BEN-DND-7e92b6ca-15
0.297
MAT-POS-8fd29122-2
0.297
UNK-UNK-2ede4078-86
0.296
ERI-UCB-a0b0dbcb-3
0.291
MAR-UCB-f313ec4d-6
0.290
ERI-UCB-a0b0dbcb-4
0.288
SAD-SAT-65574d3f-9
0.286
UNK-UNK-2ede4078-24
0.282
UNK-UNK-2ede4078-79
0.282
MAR-UCB-f313ec4d-5
0.279
BEN-DND-7e92b6ca-12
0.279
TAT-ENA-80bfd3e5-15
0.279
MAT-POS-916a2c5a-4
0.278
EDJ-MED-78f964c8-1
0.278
UNK-UNK-2ede4078-42
0.277
UNK-UNK-2ede4078-75
0.275
AHN-SAT-02ef6d10-3
0.271
ERI-UCB-ce40166b-21
0.268
SAD-SAT-5b1897b2-4
0.267
UNK-UNK-2ede4078-45
0.265
MIC-UNK-b9827f26-1
0.264
MAK-UNK-6ca90168-1
0.264
UNK-UNK-2ede4078-53
0.260
KRI-MAR-d2e3ef86-7
0.257
BRU-UNI-248b30bc-37
0.255
MAT-POS-ea426761-76
0.254
MAT-POS-162a9720-2
0.253
NIL-NON-a189c016-1
0.253
KRI-MAR-d2e3ef86-4
0.252
MAT-POS-916a2c5a-3
0.252
MIC-UNK-b9827f26-5
0.252
MAK-UNK-6ca90168-2
0.250
LON-WEI-9739a092-6
0.250
UNK-UNK-2ede4078-96
0.250
UNK-UNK-2ede4078-85
0.248
EDJ-MED-d1cd9639-1
0.245
BEN-DND-7e92b6ca-16
0.245
MAR-TRE-1c920f6f-77
0.242
AAR-POS-0daf6b7e-18
0.241
MAT-POS-590ac91e-63
0.241
MAT-POS-590ac91e-57
0.241
JUL-TUD-06b2044f-30
0.240
OLE-CAR-5b17bec5-2
0.240
ALP-POS-3fc1724e-4
0.239
JON-UIO-066ce08b-5
0.239
WIL-LEE-23e8b574-8
0.237
MAT-POS-590ac91e-70
0.236
MAT-POS-590ac91e-68
0.236
MIC-UNK-b9827f26-2
0.236
BEN-DND-7e92b6ca-13
0.236
MAT-POS-162a9720-4
0.235
BRU-UNI-248b30bc-18
0.235
EDJ-MED-d1cd9639-2
0.234
MED-UNK-e6e8ef8a-8
0.234
MAT-POS-450cb4f9-1
0.234
MAK-UNK-7c9d1431-20
0.233
DAR-DIA-5d6f1b43-20
0.233
DAR-DIA-1a77c53a-1
0.232
MIC-UNK-b9827f26-3
0.232
ALP-POS-3fc1724e-3
0.231
MAT-POS-590ac91e-58
0.231
MAK-UNK-e4a48a85-26
0.231
MAT-POS-590ac91e-65
0.230
MAT-POS-4e253971-2
0.230
VLA-UNK-58704097-1
0.229
UNK-UNK-2ede4078-74
0.229
ERI-UCB-d6de1f3c-2
0.229
ERI-UCB-a0b0dbcb-12
0.229
MAT-POS-b5746674-115
0.229
MIC-UNK-c5a20098-1
0.229
MAT-POS-590ac91e-61
0.228
BEN-DND-7e92b6ca-8
0.228
MAT-POS-590ac91e-66
0.227
KRI-MAR-d2e3ef86-6
0.227
MIC-UNK-b9827f26-4
0.226
DRR-IMP-db50bf6e-2
0.226
MAR-TRE-d0525fbf-84
0.225
MAR-TRE-fd17a9b8-57
0.224
MAR-TRE-6a44bbf2-13
0.223
WAR-XCH-79d12f6e-6
0.223
AAR-POS-0daf6b7e-3
0.223
RHE-UNK-eb059eb9-1
0.223
MAT-POS-ea426761-6
0.223
MAT-POS-590ac91e-69
0.223
JUL-TUD-06b2044f-72
0.223
RED-RED-10c9212c-22
0.223