Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2c[nH]c3ncncc23)CC1 |
MW: | 259.313 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 65.12 |
cLogP: | 0.274399999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-20
0.594
SID-ELM-1f105489-4
0.514
SID-ELM-1f105489-7
0.507
SID-ELM-1f105489-10
0.493
SID-ELM-1f105489-2
0.466
NIC-UNI-f08e2453-1
0.461
NIC-UNI-f08e2453-2
0.461
LEO-EVO-0d2ed6fc-1
0.417
IND-SYN-6c8299e8-5
0.410
IND-SYN-3aa4e743-1
0.410
NIC-BIO-25446079-2
0.405
MAK-UNK-10572812-16
0.402
SID-ELM-1f105489-15
0.400
NIC-BIO-25446079-4
0.395
IND-SYN-6c8299e8-4
0.392
MIC-UNK-a28eba03-2
0.390
SID-ELM-1f105489-13
0.383
DAR-DIA-03336633-12
0.372
SID-ELM-1f105489-3
0.366
NIC-BIO-29f4a211-1
0.365
MAK-UNK-de8f6d00-2
0.364
SWA-SYN-d2e6fa14-4
0.363
SWA-SYN-6423ea73-4
0.363
SID-ELM-1f105489-6
0.361
MAK-UNK-de8f6d00-3
0.357
MAK-UNK-10572812-17
0.356
SWA-SYN-6423ea73-10
0.352
SWA-SYN-d2e6fa14-9
0.352
SID-ELM-1f105489-5
0.350
SAD-SAT-f25ee457-5
0.349
MAK-UNK-de8f6d00-7
0.347
NIC-BIO-ec630548-4
0.344
MAK-UNK-de8f6d00-8
0.343
MAK-UNK-de8f6d00-5
0.343
SID-ELM-1f105489-9
0.341
SID-ELM-1f105489-8
0.341
NIC-BIO-25446079-3
0.341
MAK-UNK-de8f6d00-1
0.340
MAK-UNK-de8f6d00-6
0.340
MAK-UNK-10572812-15
0.340
NIC-BIO-29f4a211-2
0.337
NIC-BIO-ec630548-1
0.337
NIC-BIO-ec630548-2
0.333
MAR-TRE-3159af1a-90
0.333
ASH-UNK-40b46b30-18
0.330
NIC-BIO-96ee2ca4-1
0.326
NIC-BIO-ec630548-3
0.326
NIC-BIO-5044b423-1
0.326
MAK-UNK-10572812-13
0.324
MAK-UNK-10572812-9
0.324
NIC-BIO-174c9b04-2
0.321
SID-ELM-1f105489-11
0.321
TAM-UNI-c140e31a-5
0.320
MAR-TRE-3159af1a-40
0.319
NIC-BIO-2722da07-1
0.319
SAD-SAT-135344c3-7
0.319
MAK-UNK-10572812-1
0.318
MAK-UNK-10572812-12
0.318
NIC-BIO-174c9b04-1
0.318
MAK-UNK-10572812-11
0.315
TAM-UNI-c140e31a-4
0.313
TAM-UNI-c140e31a-8
0.310
MAK-UNK-10572812-2
0.309
ASH-UNK-40b46b30-14
0.308
TAM-UNI-c140e31a-17
0.307
AAR-POS-d2a4d1df-6
0.307
MAK-UNK-10572812-10
0.306
NIC-BIO-f814dd3d-1
0.306
SAD-SAT-f25ee457-10
0.306
MAR-TRE-3159af1a-70
0.306
GAB-FRA-261eb2a6-1
0.304
JOH-IMS-cc7b4c67-1
0.304
MAK-UNK-10572812-8
0.300
NIC-BIO-174c9b04-3
0.300
NIC-BIO-96ee2ca4-2
0.298
MAK-UNK-10572812-14
0.297
MAR-TRE-3159af1a-37
0.290
NIC-BIO-2722da07-2
0.290
MAR-TRE-3159af1a-2
0.290
JAR-KUA-672ec752-14
0.289
ALE-HEI-f28a35b5-16
0.286
MAR-TRE-3159af1a-16
0.284
JOH-IMS-cc7b4c67-3
0.284
TAM-UNI-c140e31a-18
0.282
LEO-EVO-0d2ed6fc-7
0.280
COM-UCB-8c7d23dc-8
0.280
MAK-UNK-b1917cc8-3
0.278
NIC-BIO-25446079-1
0.276
MAK-UNK-b1917cc8-2
0.274
KAL-WAB-eb347ebe-1
0.274
COM-UCB-1ef4e90e-16
0.274
MAK-UNK-10572812-7
0.274
SID-ELM-1f105489-17
0.273
LEO-EVO-0d2ed6fc-2
0.273
PET-SGC-fc67af9f-1
0.273
NAU-LAT-ec9c7557-3
0.271
MAR-TRE-3159af1a-66
0.271
ALE-HEI-f28a35b5-17
0.266
SCO-VAN-260d9628-1
0.266
RAF-UNK-9885c2f5-2
0.265