Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2c(F)[nH]c3ncccc23)CC1 |
MW: | 276.315 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 52.23 |
cLogP: | 1.0185 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
SID-ELM-1f105489-6
0.691
SID-ELM-1f105489-4
0.583
SID-ELM-1f105489-5
0.528
SID-ELM-1f105489-12
0.520
IND-SYN-6c8299e8-4
0.514
AAR-POS-d2a4d1df-20
0.514
MAK-UNK-10572812-14
0.490
SID-ELM-1f105489-17
0.443
SID-ELM-1f105489-8
0.436
SID-ELM-1f105489-7
0.420
NIC-BIO-174c9b04-1
0.407
SID-ELM-1f105489-9
0.400
NIC-BIO-5044b423-1
0.398
SAD-SAT-135344c3-7
0.386
SID-ELM-1f105489-2
0.380
NIC-BIO-174c9b04-2
0.378
NIC-BIO-2722da07-1
0.371
SID-ELM-1f105489-1
0.366
MIC-UNK-a28eba03-2
0.362
SID-ELM-1f105489-14
0.354
NIC-BIO-174c9b04-3
0.352
NIC-BIO-2722da07-2
0.351
IND-SYN-3aa4e743-1
0.349
IND-SYN-6c8299e8-5
0.349
NIC-UNI-f08e2453-1
0.347
ALE-HEI-f28a35b5-16
0.347
MAK-UNK-10572812-3
0.345
MAK-UNK-de8f6d00-2
0.343
SID-ELM-1f105489-13
0.341
NIC-BIO-29f4a211-1
0.341
SWA-SYN-d2e6fa14-4
0.340
SWA-SYN-6423ea73-4
0.340
NIC-BIO-25446079-4
0.337
DAR-DIA-03336633-12
0.337
MAK-UNK-10572812-12
0.336
MAR-TRE-4b834d9a-32
0.333
NIC-BIO-25446079-3
0.333
NIC-BIO-25446079-2
0.329
MAR-TRE-c8530538-9
0.326
MAR-TRE-3e4e6814-10
0.326
MAK-UNK-10572812-10
0.324
MAK-UNK-de8f6d00-3
0.324
MAR-TRE-67513f76-5
0.322
MAK-UNK-10572812-15
0.321
MAK-UNK-10572812-9
0.318
AAR-POS-d2a4d1df-6
0.316
NIC-BIO-ec630548-1
0.315
NIC-BIO-29f4a211-2
0.315
SID-ELM-1f105489-11
0.313
JOH-IMS-cc7b4c67-1
0.312
NIC-BIO-ec630548-2
0.312
SAD-SAT-f25ee457-5
0.311
NIC-BIO-ec630548-4
0.309
MAK-UNK-de8f6d00-1
0.308
MAK-UNK-10572812-8
0.306
MAK-UNK-10572812-16
0.306
NAU-LAT-ec9c7557-3
0.305
NIC-BIO-ec630548-3
0.305
MAK-UNK-10572812-2
0.304
JON-UIO-066ce08b-3
0.303
SWA-SYN-d2e6fa14-9
0.302
SWA-SYN-6423ea73-10
0.302
MAK-UNK-b1917cc8-2
0.301
MAK-UNK-de8f6d00-5
0.299
MAR-TRE-3159af1a-40
0.298
MAR-TRE-3159af1a-19
0.298
MAR-TRE-3159af1a-90
0.298
JAR-KUA-672ec752-14
0.298
MAK-UNK-10572812-11
0.297
MAR-TRE-3159af1a-43
0.297
MAK-UNK-10572812-13
0.295
NIC-UNI-f08e2453-2
0.294
NIC-BIO-96ee2ca4-1
0.293
MAR-TRE-d0525fbf-97
0.292
MAR-TRE-9c797165-52
0.291
SID-ELM-1f105489-16
0.291
MAK-UNK-de8f6d00-7
0.290
MAK-UNK-10572812-1
0.289
MAR-TRE-3159af1a-35
0.289
MAK-UNK-10572812-17
0.288
MAK-UNK-b1917cc8-3
0.288
MAR-TRE-c8530538-93
0.287
SAD-SAT-f25ee457-10
0.287
NIC-BIO-f814dd3d-1
0.287
GAB-FRA-261eb2a6-1
0.286
MAK-UNK-de8f6d00-8
0.286
JAR-KUA-672ec752-3
0.286
ASH-UNK-40b46b30-18
0.284
MAR-TRE-3159af1a-2
0.284
MAR-TRE-3159af1a-37
0.284
MAR-TRE-3159af1a-42
0.284
JON-UNI-bb9dc649-4
0.284
AAR-POS-0daf6b7e-44
0.284
MAR-TRE-3159af1a-36
0.283
KAL-WAB-eb347ebe-1
0.282
TAM-UNI-c140e31a-4
0.282
SID-ELM-1f105489-15
0.281
NIC-BIO-96ee2ca4-2
0.280
MAR-TRE-3159af1a-81
0.280
MAK-UNK-10572812-7
0.280