Molecular Properties | |
SMILES: | O=C(NCCCNC(=O)c1ccccc1)NCc1nc2ccccc2s1 |
MW: | 368.13 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 83.12 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-UNI-c25c2f1e-60
0.415
WIL-UNI-2a57d06c-36
0.396
AAR-UNI-c25c2f1e-41
0.382
AAR-UNI-c25c2f1e-69
0.323
MAR-TRE-8190bb11-40
0.311
WIL-UNI-d4749f31-34
0.303
AAR-UNI-c25c2f1e-76
0.302
AAR-UNI-c25c2f1e-16
0.299
STE-KUL-2e0d2e88-1
0.291
AHN-SAT-324b361c-1
0.290
AAR-UNI-c25c2f1e-89
0.289
MAR-TRE-8190bb11-35
0.289
AAR-UNI-c25c2f1e-79
0.287
MAR-TRE-6a44bbf2-64
0.282
ROM-UNK-ef52a3c9-4
0.278
MAR-TRE-a78003aa-29
0.278
MAR-TRE-6a44bbf2-53
0.278
MAK-UNK-7c9d1431-25
0.278
MAR-TRE-1c920f6f-99
0.275
MAK-UNK-0955449e-25
0.275
AAR-UNI-c25c2f1e-90
0.272
AAR-UNI-c25c2f1e-87
0.270
AAR-UNI-c25c2f1e-58
0.268
AAR-POS-d2a4d1df-30
0.266
TAT-ENA-80bfd3e5-13
0.266
AAR-UNI-c25c2f1e-44
0.265
AAR-UNI-c25c2f1e-86
0.265
AAR-UNI-c25c2f1e-97
0.261
MAK-UNK-3f402c2b-8
0.260
AAR-UNI-c25c2f1e-83
0.260
AAR-UNI-c25c2f1e-57
0.260
SAD-SAT-f0a2747f-2
0.259
AAR-UNI-c25c2f1e-71
0.258
AAR-UNI-c25c2f1e-39
0.258
WIL-UNI-d4749f31-35
0.257
AAR-UNI-c25c2f1e-37
0.257
JOO-IND-b13e14cc-1
0.253
NIC-UNI-0cb6411b-1
0.252
AAR-UNI-c25c2f1e-2
0.250
AAR-UNI-c25c2f1e-65
0.250
AHN-SAT-02ef6d10-4
0.250
WIL-UNI-2a57d06c-21
0.248
WIL-UNI-2a57d06c-43
0.248
IND-SYN-6c8299e8-3
0.245
WIL-UNI-2a57d06c-11
0.245
LON-WEI-5e7d1b3e-30
0.243
LON-WEI-4d77710c-30
0.243
MAR-TRE-fd17a9b8-54
0.240
AHN-SAT-02ef6d10-1
0.240
MAR-LAB-ff9967db-1
0.239
MAR-TRE-f5c2d31c-58
0.238
AAR-UNI-c25c2f1e-52
0.238
MAR-TRE-14ce9fd6-66
0.237
AAR-UNI-c25c2f1e-82
0.237
AAR-UNI-c25c2f1e-46
0.236
AAR-UNI-c25c2f1e-28
0.235
JOO-IND-b13e14cc-2
0.235
MAR-TRE-e82e6c98-29
0.234
MAR-TRE-14ce9fd6-84
0.233
MAT-POS-ea426761-86
0.231
ALP-UNI-ed5cdfd2-8
0.231
MAR-TRE-e82e6c98-23
0.231
MAR-TRE-a9136c7b-23
0.231
AAR-UNI-c25c2f1e-23
0.230
AAR-POS-0daf6b7e-5
0.230
CHR-SOS-7098f804-9
0.230
AAR-UNI-c25c2f1e-30
0.228
MAR-TRE-a3327163-16
0.228
JOO-IND-b2fae8f6-2
0.225
MAR-TRE-e82e6c98-68
0.225
MAT-POS-ea426761-92
0.224
MAR-TRE-66ac689e-53
0.223
NIC-UNI-f08e2453-1
0.223
RAM-SYN-2a37ce6c-7
0.223
MAR-TRE-9d18ae8c-18
0.222
AAR-UNI-c25c2f1e-73
0.221
MAR-LAB-ff9967db-35
0.221
AAR-UNI-c25c2f1e-45
0.221
GIA-UNK-d2defdc3-4
0.221
MAT-POS-ea426761-5
0.220
JOO-IND-b13e14cc-3
0.220
MAR-TRE-4f781e27-83
0.220
AAR-UNI-c25c2f1e-51
0.220
DRA-CSI-3ab97369-14
0.220
DRA-CSI-13f611db-2
0.220
AAR-UNI-c25c2f1e-59
0.219
MAR-TRE-c8530538-26
0.219
MAR-TRE-a78003aa-92
0.218
GIA-UNK-d2defdc3-2
0.218
TRI-UNI-97428359-1
0.218
MAR-TRE-8190bb11-96
0.217
JOO-IND-68bcc4bc-1
0.217
MAR-TRE-9c797165-7
0.217
MAR-TRE-e86a56b5-69
0.216
MAR-TRE-aca67d11-12
0.216
HAO-BIO-c9aafde3-4
0.214
AAR-UNI-c25c2f1e-49
0.214
MAR-TRE-4f781e27-49
0.213
VLA-UNK-b5cf542b-1
0.213
MAR-TRE-c8530538-16
0.213