Molecular Properties | |
SMILES: | O=C(CN(C(=O)Nc1ccccc1)c1cccnc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 |
MW: | 479.562 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 102.92 |
cLogP: | 2.6532 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Hetero_hetero
KAY-MCD-59dc2eb3-1
0.600
SIM-SYN-a98e6a07-2
0.536
WIL-UNI-5578df48-8
0.458
MAR-TRE-6a44bbf2-21
0.449
MAK-UNK-7c9d1431-9
0.449
PEI-IMP-ca0b2813-1
0.422
DAR-DIA-fc970077-9
0.420
WIL-UNI-5578df48-6
0.402
SCO-CSI-e30c12ee-1
0.394
ALE-MCD-4ac17b19-1
0.394
MAR-TRE-04c86cea-46
0.389
MAK-MCD-586a6efd-1
0.385
PEI-IMP-3d837503-2
0.383
SIM-SYN-a98e6a07-3
0.379
PEI-IMP-3d837503-4
0.378
WIL-UNI-5578df48-5
0.374
WIL-UNI-5578df48-7
0.371
MED-UNK-55e26634-1
0.360
MED-UNK-40f14d64-1
0.360
MED-UNK-cd1acb4a-1
0.354
PEI-IMP-ca0b2813-2
0.353
PEI-IMP-3d837503-1
0.352
DAR-DIA-fc970077-14
0.352
MAK-UNK-7264f48c-2
0.350
KEI-TRE-d5e2018a-38
0.350
MAC-MCD-76766525-1
0.344
ASH-UNK-40b46b30-3
0.340
MIK-MCD-9143301b-1
0.339
WIL-UNI-5578df48-3
0.337
SIM-SYN-3099a863-3
0.337
SAD-SAT-135344c3-5
0.337
PEI-IMP-3d837503-3
0.333
EMI-TUK-a58865cc-6
0.333
EMI-TUK-a58865cc-5
0.330
DRE-WAB-9b73098a-1
0.330
MAK-UNK-009ebe36-2
0.327
MAK-UNK-7c9d1431-17
0.326
DRR-IMP-dff87f5e-3
0.326
AAR-POS-d2a4d1df-44
0.326
ZAC-MCD-b48cf8fd-1
0.325
PEI-IMP-ca0b2813-4
0.323
EMI-TUK-a58865cc-7
0.323
SAD-SAT-2fd372d1-7
0.322
PEI-IMP-3d837503-5
0.322
WIL-UNI-5578df48-2
0.321
KEI-TRE-d5e2018a-64
0.321
SCO-CSI-071a6f1c-1
0.321
SAD-SAT-135344c3-2
0.320
MAR-TRE-3e4e6814-34
0.316
KEI-TRE-d5e2018a-32
0.316
IND-SYN-6c8299e8-7
0.316
MAR-TRE-d0525fbf-90
0.316
GIA-UNK-eaadd1d4-3
0.315
HUB-UNK-9845d277-12
0.315
SAD-SAT-135344c3-4
0.314
MAK-UNK-009ebe36-3
0.314
GIA-UNK-5ec6c2b8-4
0.313
KEI-TRE-d5e2018a-59
0.312
DRR-IMP-dff87f5e-6
0.311
DRR-IMP-dff87f5e-9
0.311
NIM-UNI-05f93fcc-6
0.310
SCO-CSI-e56d7cb6-1
0.308
ABB-MCD-f549d731-1
0.308
MAR-TRE-6a44bbf2-58
0.307
MAR-LAB-efb042c5-5
0.307
MAR-TRE-6a44bbf2-68
0.307
AAR-POS-d2a4d1df-27
0.307
KAY-MCD-d0fe5261-1
0.307
DRR-IMP-dff87f5e-1
0.307
DRR-IMP-dff87f5e-7
0.307
KEN-MCD-4729dc98-1
0.306
SIM-SYN-a98e6a07-4
0.306
ASH-UNK-40b46b30-9
0.306
KEI-TRE-d5e2018a-87
0.306
MAK-UNK-7c9d1431-3
0.305
PEI-IMP-ca0b2813-3
0.305
JAR-KUA-41bd5a3d-4
0.305
DRR-IMP-dff87f5e-2
0.305
SAD-SAT-2ceae68f-1
0.304
MAR-TRE-6a44bbf2-78
0.303
MAT-POS-b5746674-56
0.303
MAK-UNK-7c9d1431-13
0.303
EMI-TUK-a58865cc-4
0.303
HUB-UNK-9845d277-10
0.303
MAK-UNK-f0bfc2e0-1
0.303
SAD-SAT-2fd372d1-8
0.302
BEN-DND-031a96cc-7
0.302
KEI-TRE-d5e2018a-73
0.302
MAT-POS-590ac91e-58
0.302
MAK-UNK-7264f48c-3
0.302
AAR-POS-d2a4d1df-11
0.301
MAK-UNK-7c9d1431-22
0.301
BEN-DND-7e92b6ca-7
0.301
MAK-UNK-009ebe36-8
0.301
SAD-SAT-135344c3-3
0.301
BEN-DND-03406596-10
0.300
MAR-TRE-6a44bbf2-18
0.300
LON-WEI-8f408cad-4
0.300
DAN-MCD-50ec7d1f-1
0.300
AAR-POS-d2a4d1df-23
0.300