Molecular Properties | |
SMILES: | CN(Cc1ccccn1)C(=O)N1CCCCNS(=O)(=O)CC1 |
MW: | 326.422 |
Fraction sp3: | 0.57 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 82.61 |
cLogP: | 0.6486 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-5
RIC-ARG-a8e88843-4
0.385
RIC-ARG-a8e88843-7
0.326
JON-UIO-066ce08b-3
0.316
DRR-IMP-38dce17f-5
0.312
MAR-TRE-c8530538-40
0.306
SIM-SYN-3099a863-2
0.284
MAR-TRE-c8530538-79
0.283
ROM-UNK-ef52a3c9-2
0.281
CAT-CEN-91a3f3b0-1
0.276
MAR-TRE-d3c2bf0e-62
0.275
MAR-TRE-c8530538-98
0.271
SIM-SYN-7db9eb24-2
0.270
NJA-MAN-00c90aa2-13
0.267
MAR-TRE-423310b6-84
0.264
NJA-MAN-00c90aa2-53
0.264
NJA-MAN-00c90aa2-45
0.263
NJA-MAN-00c90aa2-66
0.260
SIM-SYN-3099a863-3
0.260
NJA-MAN-00c90aa2-43
0.257
ALP-POS-c0c213c9-1
0.254
SAD-SAT-5b1897b2-3
0.253
NJA-MAN-b8640440-19
0.253
NJA-MAN-00c90aa2-33
0.252
NJA-MAN-b8640440-6
0.250
NJA-MAN-b8640440-36
0.250
MAR-TRE-d0525fbf-34
0.250
NJA-MAN-00c90aa2-68
0.250
ALP-POS-c0c213c9-18
0.248
ALP-POS-c0ee8219-14
0.248
NJA-MAN-00c90aa2-19
0.248
MAR-TRE-c8530538-47
0.248
NJA-MAN-b8640440-12
0.247
NJA-MAN-b8640440-37
0.247
NJA-MAN-b8640440-41
0.247
NJA-MAN-00c90aa2-58
0.245
MAR-TRE-3159af1a-20
0.245
NJA-MAN-00c90aa2-62
0.245
MAR-TRE-fd17a9b8-31
0.245
NJA-MAN-00c90aa2-10
0.245
NJA-MAN-00c90aa2-11
0.245
NJA-MAN-00c90aa2-34
0.245
TRI-UNI-97428359-2
0.245
NJA-MAN-b8640440-48
0.245
NJA-MAN-b8640440-16
0.245
NJA-MAN-b8640440-26
0.245
NJA-MAN-00c90aa2-8
0.243
NJA-MAN-00c90aa2-1
0.243
NJA-MAN-00c90aa2-27
0.243
NJA-MAN-b8640440-45
0.242
TRI-UNI-97428359-1
0.242
NJA-MAN-b8640440-21
0.242
NJA-MAN-b8640440-39
0.242
ALP-POS-c0ee8219-6
0.241
UNK-UNK-2ede4078-54
0.241
NJA-MAN-00c90aa2-9
0.240
NJA-MAN-00c90aa2-41
0.240
THO-SYG-f9b2970d-4
0.240
NJA-MAN-b8640440-29
0.240
NJA-MAN-b8640440-32
0.240
BEN-DND-93268d01-4
0.239
JON-UNI-bb9dc649-4
0.239
MAR-TRE-f6f5f473-38
0.239
NJA-MAN-00c90aa2-54
0.238
NJA-MAN-b8640440-23
0.238
NJA-MAN-b8640440-24
0.238
NJA-MAN-b8640440-50
0.238
NJA-MAN-00c90aa2-72
0.238
NJA-MAN-b8640440-38
0.238
NJA-MAN-b9fb953f-6
0.237
NJA-MAN-b8640440-42
0.237
NJA-MAN-00c90aa2-46
0.236
NJA-MAN-b8640440-30
0.235
NJA-MAN-00c90aa2-35
0.235
NJA-MAN-b8640440-31
0.235
NJA-MAN-00c90aa2-25
0.235
MAR-TRE-c8530538-33
0.234
MAR-TRE-04c86cea-22
0.234
MAR-TRE-f6f5f473-19
0.234
NJA-MAN-00c90aa2-57
0.234
NJA-MAN-b8640440-53
0.233
NJA-MAN-00c90aa2-4
0.233
NJA-MAN-00c90aa2-5
0.233
NJA-MAN-00c90aa2-14
0.233
NJA-MAN-00c90aa2-38
0.233
NJA-MAN-00c90aa2-70
0.233
NJA-MAN-00c90aa2-2
0.233
NJA-MAN-00c90aa2-12
0.233
MAT-CRI-b80b8c24-1
0.233
NJA-MAN-b9fb953f-4
0.232
NJA-MAN-b8640440-9
0.232
NJA-MAN-00c90aa2-44
0.232
MAR-TRE-c8530538-59
0.232
ALP-POS-c0ee8219-10
0.232
MAR-TRE-74c6519b-4
0.232
IND-SYN-6c8299e8-5
0.232
IND-SYN-3aa4e743-1
0.232
JON-UNI-93996c9d-7
0.231
NJA-MAN-00c90aa2-49
0.231
NJA-MAN-00c90aa2-6
0.231
NJA-MAN-00c90aa2-31
0.231