Molecular Properties | |
SMILES: | COCCn1cc(CCNC(=O)Nc2ccc(F)c(Cl)c2)c2cccnc21 |
MW: | 390.13 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 68.18 |
cLogP: | 3.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7277693238 |
MolPort: | MolPort-010-902-520 |
dyes5A(27)
MAR-TRE-3159af1a-30
0.742
MAR-TRE-3159af1a-12
0.733
MAR-TRE-3159af1a-15
0.663
MAR-TRE-3159af1a-55
0.646
MAR-TRE-3159af1a-94
0.609
MAR-TRE-3159af1a-98
0.602
MAR-TRE-3159af1a-3
0.589
MAR-TRE-3159af1a-68
0.589
MAR-TRE-3159af1a-25
0.588
MAR-TRE-3159af1a-27
0.581
MAR-TRE-3159af1a-34
0.564
MAR-TRE-3159af1a-38
0.540
MAR-TRE-3159af1a-18
0.500
MAR-TRE-3159af1a-46
0.495
MAR-TRE-3159af1a-13
0.479
MAR-TRE-3159af1a-85
0.471
MAR-TRE-3159af1a-5
0.465
MAR-TRE-3159af1a-100
0.463
MAR-TRE-3159af1a-4
0.461
MAR-TRE-3159af1a-59
0.457
MAR-TRE-3159af1a-47
0.456
MAR-TRE-3159af1a-14
0.444
MAR-TRE-3159af1a-73
0.444
MAR-TRE-3159af1a-49
0.436
MAR-TRE-3159af1a-22
0.429
MAR-TRE-3159af1a-97
0.415
MAR-TRE-3159af1a-96
0.371
MAR-TRE-f5c2d31c-13
0.363
MAR-TRE-3159af1a-53
0.362
MAR-TRE-6c5ef77a-51
0.324
MAR-TRE-7f7bb9f0-40
0.308
WIL-UNI-1faa9b10-8
0.296
MAK-UNK-d1e89583-8
0.291
MAR-TRE-d0525fbf-5
0.282
MAR-TRE-6c5ef77a-24
0.282
MAR-TRE-d0525fbf-49
0.280
MAT-POS-2492181e-1
0.279
LON-WEI-4d77710c-52
0.279
LON-WEI-5e7d1b3e-52
0.279
MAR-TRE-3159af1a-57
0.276
JUL-TUD-06b2044f-82
0.270
JAG-UCB-1d922829-4
0.269
LON-WEI-4d77710c-48
0.268
BAR-COM-4e090d3a-54
0.268
LON-WEI-5e7d1b3e-48
0.268
BAR-COM-0f94fc3d-57
0.268
MAR-TRE-f5c2d31c-42
0.267
JAG-UCB-1d922829-6
0.265
TRY-UNI-1fd04853-5
0.264
GAB-FAC-880f6604-1
0.261
DRA-CSI-47e38074-9
0.259
AAR-UNI-c25c2f1e-98
0.259
JUL-TUD-06b2044f-35
0.256
DAR-DIA-03336633-3
0.256
DUN-NEW-f8ce3686-6
0.256
AAR-UNI-c25c2f1e-46
0.255
DAR-DIA-23aa0b97-12
0.255
JUL-TUD-06b2044f-115
0.255
LON-WEI-5e7d1b3e-17
0.254
MAR-TRE-f5c2d31c-19
0.254
LON-WEI-4d77710c-17
0.254
MAT-POS-2492181e-4
0.254
AAR-UNI-c25c2f1e-62
0.254
MAR-TRE-7f7bb9f0-39
0.252
JAG-UCB-1d922829-5
0.252
ROB-UNI-b2e39629-11
0.252
DUN-NEW-f8ce3686-8
0.252
MAK-UNK-10572812-14
0.252
BEN-VAN-ed886787-18
0.250
TRY-UNI-1fd04853-7
0.250
NIC-BIO-3276ca7f-6
0.250
MAR-TRE-d0525fbf-44
0.248
MAR-TRE-f5c2d31c-28
0.248
WES-WAB-2b40d25a-1
0.248
JUL-TUD-06b2044f-138
0.248
BEN-VAN-ed886787-15
0.246
DUN-NEW-f8ce3686-7
0.246
MAR-TRE-4b834d9a-10
0.246
MAR-TRE-9c797165-78
0.246
MAR-TRE-4b834d9a-2
0.246
MAT-POS-3b92565d-7
0.246
MAR-TRE-d0525fbf-7
0.244
MAR-TRE-f5c2d31c-70
0.244
MAR-TRE-fd17a9b8-49
0.244
MAK-UNK-ec98eaf6-17
0.243
MAR-TRE-3159af1a-33
0.243
AAR-UNI-c25c2f1e-78
0.243
BEN-VAN-ed886787-14
0.242
MAR-TRE-67513f76-52
0.242
MAR-TRE-3e4e6814-90
0.242
MAR-TRE-4b834d9a-55
0.241
TRY-UNI-1fd04853-11
0.241
AAR-UNI-c25c2f1e-51
0.240
MAR-TRE-b77b7921-43
0.240
UNK-UNK-2ede4078-62
0.239
MAR-TRE-3e4e6814-18
0.239
TRY-UNI-1fd04853-9
0.239
MIC-UNK-08cd9c58-1
0.239
MAT-POS-f7918075-3
0.239
JIN-POS-6dc588a4-23
0.239