Molecular Properties | |
SMILES: | COCCn1cc(CC(=O)NCc2ccccc2)c2cccnc21 |
MW: | 323.16 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 56.15 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4002206542 |
MolPort: | MolPort-010-902-380 |
dyes5A(27)
MAR-TRE-3159af1a-4
0.714
MAR-TRE-3159af1a-5
0.679
MAR-TRE-3159af1a-13
0.671
MAR-TRE-3159af1a-100
0.671
MAR-TRE-3159af1a-73
0.636
MAR-TRE-3159af1a-47
0.622
MAR-TRE-3159af1a-49
0.620
MAR-TRE-3159af1a-18
0.605
MAR-TRE-3159af1a-22
0.602
MAR-TRE-3159af1a-85
0.583
MAR-TRE-3159af1a-46
0.575
MAR-TRE-3159af1a-98
0.570
MAR-TRE-3159af1a-59
0.563
MAR-TRE-3159af1a-94
0.557
MAR-TRE-3159af1a-27
0.512
MAR-TRE-3159af1a-34
0.512
MAR-TRE-3159af1a-68
0.506
MAR-TRE-3159af1a-3
0.489
MAR-TRE-3159af1a-25
0.473
MAR-TRE-3159af1a-38
0.473
MAR-TRE-3159af1a-30
0.468
MAR-TRE-3159af1a-12
0.463
MAR-TRE-3159af1a-15
0.454
MAR-TRE-3159af1a-55
0.454
MAR-TRE-3159af1a-64
0.444
NAU-LAT-64f4b287-9
0.419
MAR-TRE-3e4e6814-5
0.409
MAR-TRE-3e4e6814-7
0.392
MAR-TRE-4b834d9a-23
0.381
MAR-TRE-3e4e6814-12
0.379
MAR-TRE-f6f5f473-55
0.375
MAR-TRE-3e4e6814-14
0.371
MAR-TRE-f6f5f473-94
0.370
MAR-TRE-3159af1a-97
0.357
MAR-TRE-3159af1a-96
0.351
MAR-TRE-74c6519b-27
0.347
MAR-TRE-3e4e6814-73
0.347
MAR-TRE-3159af1a-53
0.340
MAR-TRE-f6f5f473-82
0.340
MAR-TRE-04c86cea-6
0.340
LON-WEI-1908424e-1
0.337
NIC-BIO-3276ca7f-4
0.337
MAR-TRE-4b834d9a-39
0.337
MAR-TRE-b77b7921-54
0.330
MAR-TRE-3e4e6814-84
0.323
MAR-TRE-f6f5f473-34
0.320
MAR-TRE-a3327163-30
0.316
BAR-COM-0f94fc3d-57
0.316
MAR-TRE-74c6519b-73
0.312
MAR-TRE-4b834d9a-93
0.311
MAR-TRE-4b834d9a-52
0.311
GIA-UNK-3f36037a-6
0.310
MAR-TRE-04c86cea-58
0.308
MAR-TRE-d0525fbf-79
0.308
MAR-TRE-b77b7921-46
0.308
MAR-TRE-4b834d9a-3
0.307
MAR-TRE-3e4e6814-18
0.306
MAR-TRE-74c6519b-5
0.305
MAR-TRE-f6f5f473-21
0.305
MAR-TRE-74c6519b-6
0.304
MAR-TRE-f6f5f473-66
0.303
MAR-TRE-4b834d9a-8
0.303
MAR-TRE-7f7bb9f0-17
0.302
MAR-TRE-04c86cea-23
0.302
MAR-TRE-b77b7921-4
0.301
AAR-UNI-c25c2f1e-101
0.299
MAR-TRE-a3327163-36
0.299
MAR-TRE-b77b7921-1
0.298
MAR-TRE-7f7bb9f0-39
0.298
TRY-UNI-1fd04853-7
0.297
GIA-UNK-3f36037a-5
0.296
MAR-TRE-3e4e6814-21
0.295
MAR-TRE-04c86cea-52
0.294
MAR-TRE-04c86cea-21
0.294
MAR-TRE-f6f5f473-20
0.294
MAR-TRE-3e4e6814-64
0.291
DAN-MCD-1c3944e2-1
0.291
MAR-TRE-b77b7921-11
0.290
MAR-TRE-4b834d9a-4
0.290
MAR-TRE-4b834d9a-11
0.290
MAK-UNK-a7b37c5e-3
0.289
MAR-TRE-7f7bb9f0-85
0.289
MAR-TRE-d0525fbf-23
0.288
MAR-TRE-4b834d9a-14
0.288
TRY-UNI-1fd04853-8
0.287
MAR-TRE-9c797165-74
0.287
MAR-TRE-d0525fbf-43
0.287
MAR-TRE-4b834d9a-2
0.287
MAR-TRE-74c6519b-45
0.287
MAR-TRE-9c797165-25
0.286
MAR-TRE-4b834d9a-6
0.286
DUN-NEW-f8ce3686-7
0.284
AAR-UNI-c25c2f1e-70
0.284
MAR-TRE-04c86cea-73
0.283
MAR-TRE-4b834d9a-55
0.283
MAR-TRE-04c86cea-12
0.282
MAR-TRE-d0525fbf-22
0.282
MAR-TRE-74c6519b-77
0.282
MAR-TRE-d0525fbf-28
0.282
MAR-TRE-04c86cea-1
0.280