Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2c(Cl)[nH]c3ncccc23)CC1 |
MW: | 292.77 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 52.23 |
cLogP: | 1.5328 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
SID-ELM-1f105489-3
0.691
SID-ELM-1f105489-7
0.589
SID-ELM-1f105489-8
0.527
IND-SYN-6c8299e8-4
0.507
AAR-POS-d2a4d1df-20
0.507
SID-ELM-1f105489-17
0.494
MAK-UNK-10572812-14
0.470
SID-ELM-1f105489-5
0.461
SID-ELM-1f105489-12
0.456
SID-ELM-1f105489-4
0.438
NIC-BIO-174c9b04-1
0.402
SID-ELM-1f105489-9
0.395
NIC-BIO-5044b423-1
0.393
SID-ELM-1f105489-2
0.375
NIC-BIO-174c9b04-2
0.373
SAD-SAT-135344c3-7
0.367
NIC-BIO-2722da07-1
0.367
NIC-BIO-174c9b04-3
0.364
SID-ELM-1f105489-1
0.361
MIC-UNK-a28eba03-2
0.358
IND-SYN-3aa4e743-1
0.345
IND-SYN-6c8299e8-5
0.345
MAR-TRE-4b834d9a-32
0.344
NIC-UNI-f08e2453-1
0.343
ALE-HEI-f28a35b5-16
0.342
NIC-BIO-29f4a211-1
0.337
MAR-TRE-3e4e6814-10
0.337
SID-ELM-1f105489-16
0.333
NIC-BIO-25446079-4
0.333
NIC-BIO-2722da07-2
0.333
DAR-DIA-03336633-12
0.333
NIC-BIO-25446079-3
0.330
NIC-BIO-29f4a211-2
0.326
NIC-BIO-25446079-2
0.326
SID-ELM-1f105489-15
0.322
MAR-TRE-67513f76-5
0.319
MAK-UNK-10572812-3
0.319
AAR-POS-0daf6b7e-44
0.315
MAK-UNK-de8f6d00-2
0.314
NIC-BIO-ec630548-1
0.312
AAR-POS-d2a4d1df-6
0.312
MAK-UNK-de8f6d00-7
0.311
SWA-SYN-d2e6fa14-4
0.309
SWA-SYN-6423ea73-4
0.309
MAK-UNK-10572812-12
0.309
JOH-IMS-cc7b4c67-1
0.309
MAR-TRE-c8530538-9
0.309
MAR-TRE-3159af1a-19
0.309
NIC-BIO-ec630548-2
0.309
SAD-SAT-f25ee457-5
0.308
MAK-UNK-de8f6d00-3
0.308
MAK-UNK-de8f6d00-8
0.308
MAR-TRE-3159af1a-36
0.308
MAR-TRE-3159af1a-43
0.308
NIC-BIO-ec630548-4
0.305
MAK-UNK-de8f6d00-1
0.305
NIC-UNI-f08e2453-2
0.304
NAU-LAT-ec9c7557-3
0.302
NIC-BIO-ec630548-3
0.302
MAR-TRE-3159af1a-35
0.299
SWA-SYN-d2e6fa14-9
0.299
SWA-SYN-6423ea73-10
0.299
JON-UIO-066ce08b-3
0.299
MAK-UNK-10572812-10
0.298
MAR-TRE-c8530538-93
0.298
MAR-TRE-3159af1a-67
0.298
MAK-UNK-de8f6d00-5
0.296
MAR-TRE-3159af1a-42
0.295
MAR-TRE-3159af1a-90
0.295
MAR-TRE-3159af1a-40
0.295
MAK-UNK-10572812-15
0.295
SID-ELM-1f105489-11
0.294
JAR-KUA-672ec752-14
0.294
TAM-UNI-c140e31a-9
0.294
TAM-UNI-c140e31a-4
0.291
MAK-UNK-10572812-9
0.291
NIC-BIO-96ee2ca4-1
0.290
MAK-UNK-10572812-2
0.289
SID-ELM-1f105489-14
0.287
MAR-TRE-9c797165-52
0.287
SAD-SAT-f25ee457-10
0.284
NIC-BIO-f814dd3d-1
0.284
MAK-UNK-b1917cc8-3
0.284
MAK-UNK-10572812-11
0.283
GAB-FRA-261eb2a6-1
0.283
JAR-KUA-672ec752-3
0.283
MAK-UNK-de8f6d00-6
0.282
ASH-UNK-40b46b30-18
0.282
MAK-UNK-10572812-8
0.281
MAK-UNK-10572812-16
0.281
MAK-UNK-b1917cc8-2
0.280
KAL-WAB-eb347ebe-1
0.279
MAR-TRE-3159af1a-99
0.279
SID-ELM-1f105489-13
0.278
MAR-TRE-3159af1a-81
0.277
MAR-TRE-3159af1a-65
0.277
TAM-UNI-c140e31a-8
0.276
MAR-TRE-3159af1a-84
0.276
DAR-DIA-23aa0b97-12
0.275
TAM-UNI-c140e31a-17
0.274