Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CC(c3nc4ccccc4s3)C1C2 |
MW: | 306.06 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 33.2 |
cLogP: | 3.24 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-10799360-13
0.529
MAK-UNK-90d0606b-5
0.471
MAR-TRE-6a44bbf2-53
0.455
MAK-UNK-7c9d1431-25
0.455
AAR-POS-d2a4d1df-30
0.450
TAT-ENA-80bfd3e5-13
0.450
MAK-UNK-5d2caa6f-9
0.421
IND-SYN-6c8299e8-3
0.409
JOO-IND-b13e14cc-1
0.381
JOO-IND-b13e14cc-2
0.356
JOO-IND-b13e14cc-3
0.352
AHN-SAT-02ef6d10-4
0.349
AHN-SAT-02ef6d10-1
0.349
MAR-TRE-6a44bbf2-64
0.342
WAR-XCH-b72a1bbc-8
0.322
JOO-IND-68bcc4bc-1
0.313
JAR-IMP-ed466bb3-15
0.303
MAK-UNK-df1a028e-7
0.302
MAK-UNK-5d2caa6f-13
0.299
MAK-UNK-5d2caa6f-11
0.291
SAD-SAT-f0a2747f-2
0.291
MAK-UNK-5d2caa6f-21
0.289
MAK-UNK-3f402c2b-10
0.286
MAR-TRE-fd17a9b8-54
0.286
RAM-SYN-2a37ce6c-7
0.283
MAK-UNK-ec98eaf6-18
0.283
MAK-UNK-10799360-15
0.280
RAM-SYN-2a37ce6c-6
0.278
MAK-UNK-ec98eaf6-12
0.277
MAK-UNK-df1a028e-9
0.274
MAK-UNK-ec98eaf6-58
0.273
MAR-TRE-8190bb11-35
0.271
AAR-UNI-c25c2f1e-76
0.271
MAK-UNK-3f402c2b-22
0.271
MAK-UNK-3f402c2b-19
0.270
MAR-TRE-1c920f6f-99
0.269
MAK-UNK-10799360-2
0.268
MAK-UNK-3f402c2b-26
0.267
AAR-UNI-c25c2f1e-69
0.265
MAK-UNK-3f402c2b-18
0.264
MAK-UNK-3f402c2b-21
0.264
VLA-UNK-c3e99b7a-5
0.264
MAK-UNK-90d0606b-9
0.263
MAK-UNK-ec98eaf6-2
0.263
LON-WEI-4d77710c-30
0.262
LON-WEI-5e7d1b3e-30
0.262
MAK-UNK-3f402c2b-6
0.261
MAK-UNK-3f402c2b-24
0.261
MAK-UNK-5d2caa6f-20
0.261
MAK-UNK-ec98eaf6-44
0.261
MAK-UNK-5d2caa6f-1
0.261
AAR-UNI-c25c2f1e-20
0.260
MAK-UNK-5d2caa6f-22
0.260
AHN-SAT-324b361c-1
0.258
MAK-UNK-3f402c2b-13
0.258
MAK-UNK-ec98eaf6-29
0.256
PEI-IMP-e4a008a2-1
0.256
WIL-UNI-2a57d06c-21
0.255
MAK-UNK-10799360-3
0.255
MAK-UNK-3f402c2b-16
0.253
MAK-UNK-ec98eaf6-11
0.253
MAT-POS-ea426761-92
0.252
MAK-UNK-5d2caa6f-8
0.250
IND-SYN-6c8299e8-1
0.250
AAR-UNI-c25c2f1e-86
0.248
MAK-UNK-ec98eaf6-45
0.247
MAK-UNK-3f402c2b-14
0.247
MAK-UNK-3f402c2b-1
0.247
MAK-UNK-3f402c2b-3
0.247
MAK-UNK-3e0761f8-8
0.247
JOH-UNI-27ac80fd-29
0.247
MAK-UNK-3f402c2b-25
0.247
MAR-LAB-ff9967db-1
0.246
MAK-UNK-ec98eaf6-43
0.244
MAK-UNK-3f402c2b-27
0.244
MAK-UNK-5d2caa6f-7
0.242
MAK-UNK-3e0761f8-2
0.242
MAK-UNK-10799360-36
0.242
MAK-UNK-5d2caa6f-3
0.242
MAK-UNK-3f402c2b-11
0.242
MAK-UNK-df1a028e-1
0.242
MAK-UNK-ec98eaf6-19
0.240
YOI-UNK-12211982-4
0.240
YOI-UNK-a533afbc-4
0.240
MAK-UNK-10799360-1
0.240
MAK-UNK-5d2caa6f-5
0.240
MAK-UNK-5d2caa6f-12
0.239
MAK-UNK-3e0761f8-3
0.238
GIA-UNK-c4371e97-2
0.238
SEA-TRI-f744d433-1
0.238
DAR-DIA-3e9bbd81-3
0.237
MAK-UNK-3e0761f8-5
0.237
MAK-UNK-ec98eaf6-20
0.237
LON-WEI-120e5cf5-14
0.237
SEA-TRI-8252c13b-1
0.237
MAK-UNK-10799360-32
0.237
DAV-CRI-f9b12666-10
0.237
MAK-UNK-ec98eaf6-32
0.237
MAK-UNK-3f402c2b-9
0.236
DAN-LON-a5fc619e-8
0.236