Molecular Properties | |
SMILES: | O=C(CCl)Nc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 |
MW: | 371.1 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 78.51 |
cLogP: | 3.24 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-1
MAK-UNK-1e8f9e3c-3
0.726
MAK-UNK-7a704a63-10
0.723
LON-WEI-8f408cad-1
0.723
AAR-POS-0daf6b7e-11
0.723
MAK-UNK-1e8f9e3c-6
0.600
MAK-UNK-1e8f9e3c-4
0.585
MAK-UNK-7a704a63-9
0.577
MAK-UNK-c8c8f7e2-18
0.554
MAK-UNK-6435e6c2-4
0.551
MAK-UNK-c8c8f7e2-15
0.543
MAK-UNK-7a704a63-8
0.543
MAK-UNK-c8c8f7e2-17
0.541
MAK-UNK-9159f8ed-6
0.530
MAK-UNK-1e8f9e3c-1
0.530
MAK-UNK-c8c8f7e2-16
0.521
MAK-UNK-10dfa458-3
0.514
MAK-UNK-10dfa458-22
0.514
MAK-UNK-1e8f9e3c-2
0.512
MAK-UNK-10dfa458-25
0.506
MAK-UNK-9159f8ed-1
0.447
MAK-UNK-9159f8ed-4
0.442
MAK-UNK-9159f8ed-2
0.430
MAK-UNK-10dfa458-32
0.424
AAR-UNI-c25c2f1e-61
0.424
MAR-TRE-2fd8122f-39
0.420
MAK-UNK-9159f8ed-5
0.415
IND-SYN-6c8299e8-8
0.412
SWA-SYN-6423ea73-9
0.412
SWA-SYN-d2e6fa14-10
0.412
MAK-UNK-902cc841-3
0.409
MAK-UNK-c8c8f7e2-5
0.407
MAK-UNK-c8c8f7e2-20
0.403
MAK-UNK-9159f8ed-3
0.400
MAR-TRE-a9136c7b-57
0.398
MAK-UNK-902cc841-4
0.396
MAK-UNK-c8c8f7e2-6
0.395
MAK-UNK-c8c8f7e2-7
0.386
MAK-UNK-c8c8f7e2-30
0.385
MAK-UNK-c8c8f7e2-4
0.380
MAR-TRE-799db12b-69
0.374
MAK-UNK-c8c8f7e2-8
0.373
BAR-COM-4e090d3a-60
0.370
MAK-UNK-c8c8f7e2-1
0.367
MAK-UNK-7a704a63-11
0.362
MAK-UNK-c8c8f7e2-2
0.362
MAK-UNK-c8c8f7e2-3
0.362
AHN-SAT-de2502ba-6
0.361
MAR-TRE-6a44bbf2-43
0.361
BAR-COM-0f94fc3d-53
0.361
AHN-SAT-de2502ba-5
0.353
MAK-UNK-7a704a63-18
0.346
MAK-UNK-c8c8f7e2-41
0.346
MAR-TRE-a9136c7b-42
0.344
MAK-UNK-9159f8ed-7
0.344
MAK-UNK-c8c8f7e2-33
0.341
MAK-UNK-c8c8f7e2-34
0.341
MAR-TRE-6a44bbf2-89
0.338
AAR-POS-d2a4d1df-38
0.337
MAR-TRE-799db12b-49
0.337
AAR-UNI-c25c2f1e-103
0.337
MAK-UNK-7a704a63-2
0.333
MAK-UNK-c8c8f7e2-14
0.333
MAK-UNK-10dfa458-23
0.330
IND-SYN-6c8299e8-9
0.330
MAK-UNK-7a704a63-6
0.329
MAK-UNK-c8c8f7e2-11
0.329
MAK-UNK-c8c8f7e2-43
0.329
MAK-UNK-c8c8f7e2-13
0.329
MAK-UNK-7a704a63-3
0.329
MAK-UNK-c8c8f7e2-12
0.325
MAK-UNK-7a704a63-7
0.325
MAK-UNK-c8c8f7e2-42
0.325
MAR-TRE-9d18ae8c-65
0.323
MAK-UNK-7a704a63-23
0.321
SAD-SAT-6b5a89f0-8
0.319
AHN-SAT-de2502ba-4
0.318
MAR-TRE-6a44bbf2-100
0.318
MAK-UNK-7a704a63-24
0.318
MAK-UNK-c8c8f7e2-31
0.318
DAV-CRI-8c8dd668-1
0.317
MAK-UNK-c8c8f7e2-40
0.317
MAK-UNK-7a704a63-17
0.317
MAK-UNK-c8c8f7e2-10
0.317
MAK-UNK-7a704a63-20
0.317
MAK-UNK-7a704a63-5
0.317
MAR-TRE-6a44bbf2-10
0.315
MED-COV-4280ac29-10
0.315
MAK-UNK-c8c8f7e2-39
0.313
MAK-UNK-7a704a63-16
0.313
MAK-UNK-c8c8f7e2-32
0.310
MAK-UNK-c8c8f7e2-25
0.310
WAR-XCH-bdd24732-24
0.308
AAR-UNI-c25c2f1e-87
0.306
MAR-TRE-6a44bbf2-71
0.304
MAR-TRE-f6f5f473-36
0.296
MAR-TRE-6a44bbf2-59
0.296
MAR-TRE-6a44bbf2-17
0.293
BEN-VAN-5787f7d3-12
0.292
BEN-VAN-5787f7d3-11
0.291
MAK-UNK-7a704a63-1
0.289