Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1C1CCC(N(C(=O)Nc2cccnc2)c2ccccc2)CC1 |
MW: | 614.143 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 102.92 |
cLogP: | 4.9585 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
KAY-MCD-59dc2eb3-1
0.517
MAC-MCD-76766525-1
0.500
MIK-MCD-8542a490-1
0.426
MAC-MCD-4707377b-1
0.419
KEN-MCD-4729dc98-1
0.374
MAK-MCD-586a6efd-1
0.369
ZAC-MCD-b48cf8fd-1
0.366
ASH-UNK-40b46b30-9
0.357
MAR-TRE-04c86cea-46
0.357
BEN-DND-03406596-10
0.356
BEN-DND-76ad4ac9-6
0.356
AAR-POS-d2a4d1df-23
0.356
MAR-TRE-6a44bbf2-18
0.356
LON-WEI-8f408cad-4
0.356
BEN-BAS-2a7c309d-1
0.353
SIM-SYN-a98e6a07-1
0.339
LON-WEI-120e5cf5-11
0.336
MAR-TRE-04c86cea-35
0.336
MAK-UNK-009ebe36-7
0.336
BEN-DND-76ad4ac9-14
0.333
BEN-DND-03406596-3
0.333
MAK-UNK-5d2caa6f-1
0.333
ABB-MCD-f549d731-1
0.331
JOR-UNI-2fc98d0b-13
0.331
WIL-UNI-5578df48-1
0.330
MAR-TRE-2fd8122f-13
0.328
MAK-UNK-3f402c2b-2
0.327
JOR-UNI-2fc98d0b-3
0.325
WIL-UNI-5578df48-2
0.324
THO-SYG-f9b2970d-5
0.320
JOR-UNI-2fc98d0b-10
0.320
JOR-UNI-2fc98d0b-14
0.320
KEI-TRE-d5e2018a-22
0.319
EMI-TUK-a58865cc-2
0.319
BEN-DND-03ad4429-4
0.319
IND-SYN-6c8299e8-7
0.319
MAR-TRE-d0525fbf-90
0.319
DAN-MCD-50ec7d1f-1
0.318
MAR-TRE-04c86cea-17
0.317
MAK-UNK-009ebe36-2
0.317
ASH-UNK-40b46b30-1
0.317
EMI-TUK-a58865cc-3
0.316
ASH-UNK-40b46b30-3
0.316
JOR-UNI-2fc98d0b-15
0.315
PEI-IMP-ca0b2813-1
0.315
KEI-TRE-d5e2018a-38
0.315
THO-SYG-f9b2970d-1
0.314
JOR-UNI-2fc98d0b-8
0.314
MAR-TRE-3e4e6814-80
0.313
MAR-TRE-2fd8122f-33
0.312
WIL-UNI-5578df48-3
0.312
MAR-TRE-d0525fbf-45
0.311
EMI-TUK-a58865cc-6
0.310
JOR-UNI-2fc98d0b-6
0.310
FOC-CAS-e3a94da8-1
0.309
KEI-TRE-d5e2018a-13
0.309
KEI-TRE-d5e2018a-9
0.309
JOR-UNI-2fc98d0b-16
0.309
THO-SYG-f9b2970d-2
0.308
KEI-TRE-d5e2018a-25
0.308
MAK-UNK-f0bfc2e0-1
0.308
DUN-NEW-f8ce3686-17
0.306
KEI-TRE-d5e2018a-73
0.306
MAR-TRE-74c6519b-51
0.305
EMI-TUK-a58865cc-1
0.305
MAK-UNK-009ebe36-6
0.305
MAK-UNK-8fdbca50-36
0.305
JOR-UNI-2fc98d0b-17
0.304
JOR-UNI-2fc98d0b-4
0.304
JOR-UNI-2fc98d0b-11
0.304
MAR-TRE-f6f5f473-23
0.303
MAK-MCD-2210d2de-1
0.303
KEI-TRE-d5e2018a-46
0.302
KEI-TRE-d5e2018a-64
0.302
MAK-UNK-702fb7d3-5
0.301
MAR-TRE-4b834d9a-42
0.301
MAR-TRE-2fd8122f-10
0.301
ERI-UCB-ce40166b-23
0.301
SAD-SAT-135344c3-2
0.300
MAK-UNK-8fdbca50-13
0.300
JOR-UNI-61e7b1d5-24
0.300
DUN-NEW-f8ce3686-16
0.298
MAK-UNK-8fdbca50-1
0.298
NAU-LAT-3f5f3993-1
0.298
BEN-DND-76ad4ac9-7
0.297
THO-SYG-f9b2970d-6
0.297
TAM-UNI-c140e31a-7
0.296
JOR-UNI-2fc98d0b-12
0.296
EMI-TUK-a58865cc-5
0.296
MAK-UNK-8fdbca50-39
0.295
MAK-UNK-8fdbca50-14
0.295
SAD-SAT-135344c3-3
0.295
DAV-CRI-1c77f7a9-6
0.295
JOR-UNI-61e7b1d5-5
0.295
MAK-UNK-8fdbca50-30
0.295
JOR-UNI-2fc98d0b-1
0.294
JOR-UNI-2fc98d0b-5
0.294
DAN-MCD-5c762fbe-1
0.294
KEI-TRE-d5e2018a-1
0.293
JOR-UNI-2fc98d0b-9
0.293