Molecular Properties | |
SMILES: | Cc1cc(CN(CCCN(C)CN2CCCc3ccc(S(N)(=O)=O)cc32)C(=O)NC2CC2)no1 |
MW: | 490.63 |
Fraction sp3: | 0.57 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 125.01 |
cLogP: | 2.03662 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
Methylendiamines (1)
acyclic N-C-N
Long aliphatic chain
Dye 22
PET-SGC-210d4c30-1
0.773
DAR-DIA-37454fd7-3
0.642
DAR-DIA-37454fd7-2
0.591
FRA-DIA-3f9ae552-1
0.505
PET-SGC-6a1b02a9-1
0.410
NAU-LAT-42d4957e-4
0.408
MAK-UNK-0b1cbb06-4
0.402
AAR-POS-d2a4d1df-9
0.398
FRA-DIA-3f9ae552-2
0.395
SIM-SYN-3099a863-1
0.393
PET-SGC-c4a91520-1
0.393
PET-SGC-abcbce68-1
0.392
PET-SGC-908c18f3-1
0.390
PAU-UNI-2d648ace-1
0.387
MAK-UNK-0b1cbb06-3
0.385
MAK-UNK-0b1cbb06-2
0.385
FRA-DIA-3f9ae552-3
0.385
DUN-NEW-f8ce3686-14
0.382
PAU-UNI-f4334617-1
0.381
MAK-UNK-10799360-15
0.378
PET-SGC-f913cec9-2
0.378
MAK-UNK-10799360-30
0.376
TAM-UNI-c140e31a-6
0.375
IFT-SAT-023cfffe-2
0.373
NAU-LAT-42d4957e-2
0.365
PET-SGC-f913cec9-1
0.365
PET-SGC-05cff2e1-1
0.364
WIL-WAB-1289c0dd-2
0.364
PET-SGC-616b7348-1
0.364
PET-SGC-59809fea-1
0.353
JAR-IMP-ed466bb3-6
0.347
ALI-DIA-59c2fdb0-1
0.339
NAU-LAT-42d4957e-5
0.339
AAR-POS-d2a4d1df-4
0.333
IFT-SAT-023cfffe-5
0.325
HAR-NEW-e34cb1ae-5
0.325
PET-SGC-481b48b7-1
0.324
NAU-LAT-42d4957e-3
0.324
HAR-NEW-e34cb1ae-6
0.318
RAF-SAT-b3ff87a1-1
0.317
PET-SGC-fc67af9f-1
0.315
JOK-SYG-6ec557d2-1
0.313
SIM-SYN-7db9eb24-2
0.313
TRY-UNI-9f475305-8
0.310
HEI-REL-0c990a45-1
0.306
TRY-UNI-9f475305-7
0.302
ALI-DIA-59c2fdb0-4
0.298
JOK-SYG-ac99ed27-1
0.298
MAK-UNK-987948f6-1
0.293
SIM-SYN-3099a863-2
0.292
TRY-UNI-9f475305-6
0.292
MAK-UNK-0b1cbb06-5
0.288
TAM-UNI-c140e31a-4
0.288
MAK-UNK-9a6be56d-1
0.284
IFT-SAT-023cfffe-4
0.283
FRA-DIA-8640f307-1
0.282
MAK-UNK-9a6be56d-2
0.282
FRA-DIA-8640f307-3
0.278
SAD-SAT-cefd50cc-2
0.276
FRA-DIA-8640f307-2
0.276
ALI-DIA-59c2fdb0-5
0.276
ALI-DIA-59c2fdb0-3
0.274
RAF-SAT-b3ff87a1-2
0.270
ALI-DIA-59c2fdb0-2
0.268
TAM-UNI-c140e31a-12
0.264
ALI-DIA-59c2fdb0-7
0.262
ALI-DIA-59c2fdb0-8
0.262
STE-NAN-bafe64f0-1
0.262
IFT-SAT-023cfffe-1
0.262
ALI-DIA-59c2fdb0-6
0.260
MAK-UNK-0b1cbb06-1
0.259
ALI-DIA-59c2fdb0-9
0.256
HAR-NEW-e34cb1ae-4
0.256
MAK-UNK-9a6be56d-16
0.255
HEI-REL-0c990a45-6
0.254
TAM-UNI-c140e31a-17
0.254
MAK-UNK-9a6be56d-18
0.254
ASH-SAT-43770c7d-2
0.252
MAK-UNK-9a6be56d-12
0.252
MAK-UNK-9a6be56d-24
0.252
DAR-DIA-6a508060-14
0.250
STU-CHA-83dacf15-1
0.250
MAK-UNK-9a6be56d-22
0.248
MAK-UNK-9a6be56d-23
0.248
PET-SGC-2aaf6909-1
0.248
MAK-UNK-9a6be56d-15
0.247
MAK-UNK-9a6be56d-14
0.247
SAD-SAT-5b1897b2-7
0.245
MAR-TRE-6a44bbf2-33
0.245
MAK-UNK-9a6be56d-19
0.245
TAM-UNI-c140e31a-14
0.242
HEI-REL-0c990a45-2
0.241
MAK-UNK-9a6be56d-9
0.241
MAK-UNK-9a6be56d-17
0.241
MAR-TRE-6a44bbf2-46
0.241
MAK-UNK-90d0606b-6
0.240
MAK-UNK-9a6be56d-11
0.240
BEN-DND-6de5dfa0-13
0.240
BEN-DND-93268d01-12
0.240
HEI-REL-0c990a45-3
0.239