Molecular Properties | |
SMILES: | O=C(CCl)N1N=C(c2cccs2)CC1c1cccs1 |
MW: | 310.0 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 32.67 |
cLogP: | 3.73 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-10776 |
Enamine SCR: | Z56347597 |
Mcule: | MCULE-7927427238 |
MolPort: | MolPort-000-832-413 |
AAR-POS-d2a4d1df-1
NIM-UNI-13494739-6
0.615
NIM-UNI-13494739-10
0.615
UNK-UNK-2ede4078-67
0.588
MAR-LAB-efb042c5-4
0.588
MAT-POS-916a2c5a-1
0.548
TAT-ENA-80bfd3e5-9
0.494
NIM-UNI-13494739-4
0.494
NIM-UNI-13494739-3
0.415
MAR-LAB-ff9967db-36
0.404
UNK-UNK-2ede4078-68
0.387
JOH-MR_-42fa5481-10
0.386
JOH-MR_-42fa5481-5
0.378
JOH-MR_-42fa5481-7
0.378
NIM-UNI-13494739-1
0.378
JOH-MR_-42fa5481-4
0.376
MAR-LAB-efb042c5-1
0.373
MAR-LAB-ff9967db-37
0.372
NIM-UNI-13494739-8
0.359
NIM-UNI-13494739-2
0.346
NIM-UNI-13494739-12
0.346
UNK-UNK-2ede4078-77
0.346
TAT-ENA-80bfd3e5-5
0.341
MED-COV-4280ac29-30
0.337
JOH-MR_-42fa5481-6
0.330
MAT-POS-b5746674-89
0.330
JOH-MR_-42fa5481-1
0.329
JOH-MR_-42fa5481-3
0.326
NIM-UNI-13494739-11
0.325
DAN-LON-a5fc619e-9
0.325
NIM-UNI-13494739-5
0.325
JOH-MR_-42fa5481-2
0.325
TAT-ENA-80bfd3e5-15
0.318
MAT-POS-fa06b69f-7
0.318
TAT-ENA-80bfd3e5-45
0.318
NIM-UNI-13494739-7
0.310
TAT-ENA-80bfd3e5-17
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JOH-MR_-42fa5481-9
0.310
MAR-LAB-efb042c5-3
0.310
AAR-POS-0daf6b7e-16
0.304
JOH-MR_-42fa5481-14
0.302
JOH-MR_-42fa5481-12
0.292
JOH-MR_-42fa5481-11
0.292
NAU-LAT-64f4b287-3
0.289
JOH-MR_-42fa5481-13
0.289
JAR-KUA-8c13982c-11
0.286
MAK-UNK-5d2caa6f-7
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MAK-UNK-987948f6-15
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MAK-UNK-3f402c2b-25
0.280
LON-WEI-8f408cad-5
0.278
AAR-POS-0daf6b7e-17
0.278
JOH-MR_-42fa5481-8
0.276
LON-WEI-8f408cad-3
0.274
MAR-TRE-6a44bbf2-52
0.274
AAR-POS-d2a4d1df-22
0.274
BEN-DND-76ad4ac9-1
0.270
MAK-UNK-3f402c2b-26
0.269
LON-WEI-120e5cf5-5
0.263
MAK-UNK-3f402c2b-1
0.263
MAK-UNK-987948f6-2
0.261
SAD-SAT-f0a2747f-10
0.260
MAK-UNK-6ca90168-20
0.254
MAR-TRE-6a44bbf2-92
0.253
MAT-POS-b5746674-94
0.247
BEN-DND-03406596-5
0.247
BEN-DND-76ad4ac9-13
0.247
AHN-SAT-de2502ba-7
0.247
LON-WEI-4d77710c-25
0.244
LON-WEI-5e7d1b3e-25
0.244
MAT-POS-ea426761-45
0.244
MIK-MCD-8542a490-1
0.242
MAR-TRE-14ce9fd6-83
0.242
GIA-UNK-20b63697-2
0.241
MAK-UNK-3f402c2b-23
0.241
GIA-UNK-20b63697-5
0.241
GIA-UNK-20b63697-3
0.241
RED-RED-10c9212c-51
0.240
MAT-POS-b5746674-92
0.240
UNK-UNK-2ede4078-58
0.240
MAR-TRE-36bf7dba-68
0.238
JAR-KUA-8c13982c-19
0.238
NAU-LAT-64f4b287-5
0.238
GIA-UNK-20b63697-8
0.238
DUN-NEW-f8ce3686-22
0.237
DAV-CRI-d1e0885a-1
0.237
GIA-UNK-c4371e97-2
0.237
AAR-POS-0daf6b7e-5
0.237
SAD-SAT-f2e2579e-8
0.237
SIM-SYN-f15aaa3a-1
0.236
SAD-SAT-3a925b8b-5
0.236
MAK-UNK-704ed37c-17
0.235
MAK-UNK-6ca90168-22
0.235
GIA-UNK-20b63697-6
0.235
MAK-UNK-6c8f5f75-1
0.234
MAR-TRE-6a44bbf2-86
0.234
LON-WEI-120e5cf5-15
0.234
AAA-OOO-6ef70637-1
0.233
THO-SYG-f9b2970d-4
0.233
JOH-UNI-27ac80fd-25
0.233
NIM-UNI-05f93fcc-13
0.233
MAK-UNK-3e0761f8-8
0.232