Molecular Properties | |
SMILES: | Cc1nnc(CN2CCCc3ccc(S(N)(=O)=O)cc32)s1 |
MW: | 324.431 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 89.18 |
cLogP: | 1.44672 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1583996239 |
Mcule: | MCULE-2619029592 |
Dye 22
PET-SGC-c4a91520-1
0.694
MAK-UNK-0b1cbb06-4
0.569
MAK-UNK-0b1cbb06-3
0.536
DUN-NEW-f8ce3686-14
0.500
PET-SGC-6a1b02a9-1
0.500
PET-SGC-abcbce68-1
0.494
SAD-SAT-cefd50cc-8
0.471
AAR-POS-d2a4d1df-4
0.464
MAK-UNK-0b1cbb06-2
0.459
PET-SGC-908c18f3-1
0.451
TAM-UNI-c140e31a-6
0.443
PET-SGC-616b7348-1
0.430
NAU-LAT-42d4957e-2
0.429
PET-SGC-05cff2e1-1
0.426
SAD-SAT-cefd50cc-9
0.425
PAU-UNI-2d648ace-1
0.411
DAR-DIA-37454fd7-2
0.410
WIL-WAB-1289c0dd-2
0.408
DAR-DIA-37454fd7-1
0.408
PET-SGC-210d4c30-1
0.408
PET-SGC-59809fea-1
0.396
DAR-DIA-37454fd7-3
0.394
MAK-UNK-10799360-15
0.384
MAK-UNK-10799360-30
0.381
PET-SGC-481b48b7-1
0.381
NAU-LAT-42d4957e-3
0.381
NAU-LAT-42d4957e-5
0.376
PAU-UNI-f4334617-1
0.374
JAR-IMP-ed466bb3-6
0.373
MAK-UNK-9a6be56d-2
0.372
PET-SGC-fc67af9f-1
0.371
PET-SGC-f913cec9-1
0.355
MAK-UNK-9a6be56d-1
0.351
PET-SGC-f913cec9-2
0.345
TAM-UNI-c140e31a-4
0.327
HAR-NEW-e34cb1ae-6
0.326
HEI-REL-0c990a45-1
0.326
NAU-LAT-42d4957e-6
0.326
MAK-UNK-0b1cbb06-5
0.321
HAR-NEW-e34cb1ae-5
0.319
JOK-SYG-ac99ed27-1
0.315
MAK-UNK-9a6be56d-24
0.310
AAR-POS-d2a4d1df-8
0.308
JOK-SYG-6ec557d2-1
0.305
MAK-UNK-9a6be56d-11
0.305
MAK-UNK-9a6be56d-15
0.303
MAK-UNK-9a6be56d-19
0.300
MAK-UNK-9a6be56d-10
0.299
MAK-UNK-9a6be56d-12
0.299
TAM-UNI-c140e31a-12
0.299
MAK-UNK-9a6be56d-17
0.297
IND-SYN-8f867502-2
0.295
MAK-UNK-9a6be56d-8
0.294
MAK-UNK-0b1cbb06-1
0.293
MAK-UNK-9a6be56d-14
0.292
MAK-UNK-9a6be56d-16
0.292
MAK-UNK-9a6be56d-18
0.291
MAK-UNK-9a6be56d-9
0.286
ASH-SAT-43770c7d-2
0.284
MAK-UNK-9a6be56d-23
0.283
MAK-UNK-9a6be56d-22
0.283
TAM-UNI-c140e31a-17
0.283
MAK-UNK-8145c7a0-5
0.283
STE-NAN-bafe64f0-1
0.282
MAK-UNK-9a6be56d-21
0.279
MAK-UNK-8145c7a0-6
0.277
IND-SYN-058869ff-1
0.275
IND-SYN-8f867502-3
0.275
HEI-REL-0c990a45-6
0.272
HEI-REL-0c990a45-2
0.272
IND-SYN-8f867502-1
0.272
TAM-UNI-c140e31a-14
0.270
HAR-NEW-e34cb1ae-4
0.261
MAK-UNK-8145c7a0-4
0.260
JAC-UNI-14c2e728-1
0.259
HEI-REL-0c990a45-3
0.255
TAM-UNI-c140e31a-1
0.252
MAK-UNK-8145c7a0-7
0.250
MAK-UNK-9a6be56d-31
0.250
MAR-TRE-6a44bbf2-33
0.250
GER-UNI-05c7e912-1
0.250
SAD-SAT-5b1897b2-7
0.250
ASH-UNK-40b46b30-10
0.248
MAK-UNK-9a6be56d-5
0.242
MAK-UNK-9a6be56d-25
0.240
HEI-REL-0c990a45-4
0.240
FRA-DIA-3f9ae552-1
0.239
PET-SGC-ae7b447e-1
0.239
TAM-UNI-c140e31a-8
0.239
MAK-UNK-8145c7a0-11
0.236
MAK-UNK-9a6be56d-3
0.236
HAR-NEW-e34cb1ae-3
0.235
JAR-IMP-ed466bb3-1
0.234
JAN-GHE-1d98ec1c-5
0.234
TRY-UNI-1fd04853-4
0.234
STU-CHA-83dacf15-3
0.233
MIH-UNI-6b9ca91a-3
0.233
MAK-UNK-53da93bf-2
0.233
WAL-WAB-c1441da0-2
0.231
MAR-TRE-6a44bbf2-46
0.231