Molecular Properties | |
SMILES: | COCCn1cc(CCNC(=O)Nc2cccc(F)c2C)c2cccnc21 |
MW: | 370.18 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 68.18 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9301443601 |
MolPort: | MolPort-010-902-534 |
dyes5A(27)
MAR-TRE-3159af1a-15
0.696
MAR-TRE-3159af1a-12
0.674
MAR-TRE-3159af1a-64
0.646
MAR-TRE-3159af1a-94
0.643
MAR-TRE-3159af1a-68
0.637
MAR-TRE-3159af1a-30
0.628
MAR-TRE-3159af1a-98
0.616
MAR-TRE-3159af1a-3
0.602
MAR-TRE-3159af1a-27
0.593
MAR-TRE-3159af1a-34
0.593
MAR-TRE-3159af1a-25
0.583
MAR-TRE-3159af1a-38
0.551
MAR-TRE-3159af1a-5
0.505
MAR-TRE-3159af1a-13
0.489
MAR-TRE-3159af1a-4
0.485
MAR-TRE-3159af1a-18
0.480
MAR-TRE-3159af1a-85
0.465
MAR-TRE-3159af1a-46
0.462
MAR-TRE-3159af1a-100
0.457
MAR-TRE-3159af1a-14
0.454
MAR-TRE-3159af1a-73
0.454
MAR-TRE-3159af1a-47
0.451
MAR-TRE-3159af1a-59
0.438
MAR-TRE-3159af1a-49
0.430
MAR-TRE-3159af1a-97
0.423
MAR-TRE-3159af1a-22
0.410
MAR-TRE-3159af1a-53
0.382
MAR-TRE-3159af1a-96
0.379
MAR-TRE-f5c2d31c-85
0.375
MAR-TRE-f5c2d31c-54
0.357
MAR-TRE-0fda4e82-90
0.333
DUN-NEW-f8ce3686-6
0.292
LON-WEI-b8d98729-36
0.290
LON-WEI-5e7d1b3e-48
0.283
LON-WEI-4d77710c-48
0.283
LON-WEI-d1c9908a-9
0.281
MAT-POS-2492181e-1
0.273
LON-WEI-4d77710c-52
0.273
LON-WEI-5e7d1b3e-52
0.273
MAR-TRE-4b834d9a-3
0.267
MAR-TRE-4b834d9a-99
0.265
LON-WEI-d1c9908a-13
0.262
BAR-COM-0f94fc3d-57
0.261
MAR-TRE-4b834d9a-2
0.261
LON-WEI-5e7d1b3e-51
0.261
LON-WEI-4d77710c-51
0.261
DUN-NEW-f8ce3686-7
0.260
MAR-TRE-3159af1a-44
0.260
LON-WEI-5e7d1b3e-31
0.259
MAT-POS-2492181e-5
0.259
LON-WEI-4d77710c-31
0.259
MAR-TRE-7f7bb9f0-39
0.257
DUN-NEW-f8ce3686-8
0.256
LON-WEI-4d77710c-20
0.254
LON-WEI-5e7d1b3e-20
0.254
MAR-TRE-4b834d9a-8
0.252
MAR-TRE-b77b7921-11
0.252
MAR-TRE-3159af1a-21
0.250
MAR-TRE-9c797165-78
0.250
MAR-TRE-3e4e6814-72
0.250
MAR-TRE-9c797165-74
0.250
DUN-NEW-f8ce3686-5
0.250
MAR-TRE-4b834d9a-9
0.250
MAR-TRE-d0525fbf-22
0.248
MAT-POS-2492181e-4
0.248
MAR-TRE-3159af1a-57
0.248
LON-WEI-4d77710c-17
0.248
LON-WEI-5e7d1b3e-17
0.248
AAR-UNI-c25c2f1e-49
0.248
MAT-POS-2492181e-3
0.248
MAK-UNK-10572812-14
0.246
MAR-TRE-4b834d9a-20
0.246
MAR-TRE-d0525fbf-28
0.246
DOU-UNK-b5326f8f-2
0.245
MAR-TRE-d0525fbf-68
0.244
NIC-BIO-3276ca7f-6
0.244
DUN-NEW-f8ce3686-13
0.243
LON-WEI-5e7d1b3e-49
0.243
LON-WEI-4d77710c-49
0.243
LON-WEI-4d77710c-21
0.241
LON-WEI-5e7d1b3e-21
0.241
MAR-TRE-4b834d9a-33
0.241
MAR-TRE-0fda4e82-89
0.241
MAR-TRE-9c797165-17
0.241
LON-WEI-4d77710c-40
0.240
LON-WEI-5e7d1b3e-40
0.240
MAR-TRE-74c6519b-7
0.238
MAK-UNK-10572812-6
0.237
MAR-TRE-4b834d9a-25
0.237
MAR-TRE-67513f76-18
0.237
MAR-TRE-b77b7921-10
0.237
MAT-POS-2492181e-2
0.236
MAR-TRE-04c86cea-33
0.236
MAK-UNK-d1e89583-8
0.236
MAR-TRE-4b834d9a-15
0.236
WIL-UNI-354943b6-14
0.235
LON-WEI-4d77710c-16
0.235
LON-WEI-5e7d1b3e-16
0.235
MAT-POS-2492181e-11
0.235
MAT-POS-b5746674-109
0.235