Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2c[nH]c3nccnc23)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: | ✗ |
SID-ELM-1f105489-11
0.507
SID-ELM-1f105489-8
0.507
AAR-POS-d2a4d1df-20
0.507
SID-ELM-1f105489-5
0.500
SID-ELM-1f105489-1
0.466
IND-SYN-6c8299e8-4
0.408
DAR-DIA-03336633-12
0.400
SID-ELM-1f105489-14
0.395
SID-ELM-1f105489-3
0.380
SID-ELM-1f105489-16
0.377
SID-ELM-1f105489-6
0.375
NIC-UNI-f08e2453-2
0.366
NIC-UNI-f08e2453-1
0.366
MAK-UNK-10572812-15
0.363
SID-ELM-1f105489-9
0.354
MIC-UNK-a28eba03-2
0.351
SID-ELM-1f105489-4
0.346
SID-ELM-1f105489-7
0.341
MAK-UNK-10572812-17
0.340
IND-SYN-3aa4e743-1
0.338
IND-SYN-6c8299e8-5
0.338
MAR-TRE-be9ff7d2-21
0.337
MAK-UNK-10572812-16
0.333
SAD-SAT-135344c3-7
0.330
NIC-BIO-25446079-4
0.325
NIC-BIO-5044b423-1
0.321
MAK-UNK-10572812-14
0.318
NIC-BIO-174c9b04-2
0.317
NIC-BIO-25446079-2
0.317
ALE-HEI-f28a35b5-16
0.315
NIC-BIO-29f4a211-1
0.314
NIC-BIO-174c9b04-1
0.313
RED-RED-10c9212c-52
0.312
NIC-BIO-174c9b04-3
0.310
SID-ELM-1f105489-10
0.309
SWA-SYN-6423ea73-10
0.304
SWA-SYN-d2e6fa14-9
0.304
AAR-POS-d2a4d1df-6
0.301
SWA-SYN-d2e6fa14-4
0.301
SWA-SYN-6423ea73-4
0.301
JAR-KUA-672ec752-14
0.300
NIC-BIO-ec630548-2
0.300
NIC-BIO-2722da07-1
0.300
MAK-UNK-10572812-9
0.295
MAK-UNK-de8f6d00-2
0.294
ALE-HEI-f28a35b5-17
0.293
SCO-VAN-260d9628-1
0.293
NIC-BIO-25446079-3
0.291
MAK-UNK-b1917cc8-3
0.290
NIC-BIO-29f4a211-2
0.289
NIC-BIO-ec630548-1
0.289
MAK-UNK-de8f6d00-3
0.287
MAK-UNK-10572812-11
0.287
MAK-UNK-b1917cc8-2
0.286
AAR-POS-0daf6b7e-44
0.286
MAK-UNK-de8f6d00-1
0.284
SAD-SAT-f25ee457-5
0.284
NIC-BIO-ec630548-4
0.283
SID-ELM-1f105489-12
0.282
SID-ELM-1f105489-17
0.282
JOH-IMS-cc7b4c67-1
0.282
MAK-UNK-10572812-2
0.282
MAR-TRE-67513f76-5
0.281
NIC-BIO-ec630548-3
0.280
MAK-UNK-de8f6d00-7
0.279
JOH-IMS-cc7b4c67-3
0.278
MAR-TRE-4b834d9a-32
0.278
MAK-UNK-7264f48c-2
0.275
MAK-UNK-de8f6d00-8
0.275
MAK-UNK-10572812-13
0.273
NIC-BIO-2722da07-2
0.273
MAK-UNK-b1917cc8-1
0.273
MAR-TRE-3159af1a-90
0.272
MAR-TRE-3e4e6814-10
0.272
JON-UIO-066ce08b-3
0.270
JAR-KUA-672ec752-11
0.270
NIC-BIO-96ee2ca4-1
0.268
MAK-UNK-10572812-10
0.268
MAK-UNK-10572812-1
0.268
ASH-UNK-40b46b30-14
0.267
MAK-UNK-10572812-12
0.266
MAK-UNK-10572812-3
0.265
MAK-UNK-de8f6d00-5
0.264
SAD-SAT-f25ee457-10
0.263
NIC-BIO-f814dd3d-1
0.263
GAB-FRA-261eb2a6-1
0.262
MAK-UNK-de8f6d00-6
0.262
MAK-UNK-10572812-8
0.261
DAR-DIA-03336633-8
0.260
ASH-UNK-40b46b30-18
0.260
MAR-TRE-3159af1a-19
0.258
MAR-TRE-3159af1a-37
0.258
MAR-TRE-3159af1a-40
0.258
BAR-COM-4e090d3a-24
0.258
MAK-UNK-6ca90168-9
0.256
MAR-TRE-3159af1a-43
0.256
MAK-UNK-6ca90168-10
0.253
SID-ELM-1f105489-13
0.253
SID-ELM-1f105489-15
0.253
NAU-LAT-ec9c7557-3
0.253