Molecular Properties | |
SMILES: | CCC1NCCC(CN)C1NC(=O)CCc1c[nH]c2ccccc12 |
MW: | 328.23 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 82.94 |
cLogP: | 1.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
FEL-WAB-fb168420-2
0.586
RED-RED-10c9212c-33
0.400
SAN-PRS-3c4a6997-2
0.398
JOH-MSK-a63bdd1d-10
0.375
MAR-TRE-b77b7921-67
0.374
RED-RED-10c9212c-42
0.374
MAR-UCB-195bc32d-22
0.360
CUN-WAB-25b584ee-2
0.356
MAR-TRE-f6f5f473-6
0.354
MAR-UCB-195bc32d-9
0.341
MAR-TRE-fd17a9b8-10
0.340
ANT-OPE-ab37bd51-2
0.337
MAT-POS-ea426761-94
0.333
AAR-UNI-c25c2f1e-73
0.333
ALP-POS-a3de0cb1-15
0.330
MAR-TRE-fd17a9b8-35
0.330
MAR-TRE-85681e92-53
0.330
AAR-UNI-c25c2f1e-72
0.324
MAR-TRE-85681e92-68
0.323
MAR-TRE-fd17a9b8-25
0.322
MAR-TRE-fd17a9b8-18
0.321
NIC-BIO-3276ca7f-2
0.320
MAR-TRE-85681e92-69
0.317
AAR-UNI-c25c2f1e-26
0.315
MAR-TRE-f5c2d31c-47
0.312
NIC-BIO-3276ca7f-7
0.310
MAT-POS-162a9720-8
0.308
MAR-TRE-74c6519b-79
0.305
CUN-WAB-25b584ee-1
0.304
LON-WEI-4d77710c-20
0.304
LON-WEI-5e7d1b3e-20
0.304
MAR-TRE-85681e92-33
0.303
ALP-POS-8ed8d9ec-2
0.303
MAR-UCB-195bc32d-18
0.302
AAR-UNI-c25c2f1e-29
0.301
MAR-TRE-4f39ef4a-9
0.298
AAR-UNI-c25c2f1e-34
0.297
MAR-TRE-4f39ef4a-5
0.294
BRU-UNI-248b30bc-12
0.293
MAR-TRE-4f781e27-69
0.288
MAR-TRE-04c86cea-51
0.287
MAR-TRE-36bf7dba-21
0.287
MAR-TRE-36bf7dba-26
0.286
ALP-POS-8ed8d9ec-6
0.281
YIA-UNI-71f25a82-2
0.280
MAR-TRE-36bf7dba-27
0.278
YIA-UNI-71f25a82-1
0.278
SUN-WAB-e274cdaf-1
0.277
GAB-REV-df64cf17-18
0.276
NIM-UNI-310206f0-31
0.275
MAR-TRE-4f781e27-6
0.274
NJA-MAN-b9fb953f-5
0.271
SAL-INS-68b48d12-6
0.264
SAL-INS-68b48d12-10
0.261
SAL-INS-68b48d12-7
0.260
NAU-LAT-81109c57-8
0.260
WIL-UNI-1faa9b10-29
0.259
GAB-REV-70cc3ca5-17
0.257
MAR-TRE-fd17a9b8-1
0.256
SAL-INS-68b48d12-8
0.256
NIM-UNI-310206f0-49
0.254
ANT-OPE-ab37bd51-1
0.253
AMI-SHA-be6e1b75-1
0.248
AMI-SHA-0ab64bbd-1
0.248
JIN-POS-6dc588a4-5
0.248
SAL-INS-68b48d12-9
0.246
NIC-BIO-25446079-1
0.245
SAL-INS-68b48d12-5
0.244
MAR-TRE-fd17a9b8-29
0.243
MAT-GIT-deadff56-1
0.242
JOH-MEM-4bb7e4cc-1
0.242
DUN-NEW-f8ce3686-12
0.242
VLA-UCB-38f570bb-1
0.241
NAU-LAT-81109c57-2
0.241
SIM-SYN-a98e6a07-2
0.240
MAR-UCB-195bc32d-16
0.240
JOH-MSK-a63bdd1d-4
0.240
NIC-BIO-25446079-3
0.238
MAR-TRE-74c6519b-68
0.236
BRU-UNI-248b30bc-8
0.235
MAR-TRE-3159af1a-24
0.233
NAU-LAT-81109c57-1
0.233
NIC-BIO-25446079-2
0.233
ALE-ACE-2610ee4d-1
0.232
JOH-MSK-35a8745a-1
0.232
ANT-OPE-47f3bb65-2
0.232
MAR-UCB-195bc32d-21
0.232
MAR-TRE-66ac689e-52
0.231
MAR-UCB-195bc32d-45
0.231
IAN-BAS-8ad3d156-1
0.231
MAK-UNK-10572812-14
0.231
BUT-SEX-9e782cc8-1
0.230
ABI-SAT-30e287c1-2
0.229
ZAC-WAB-86e8bacf-1
0.229
NIC-BIO-25446079-4
0.229
MAR-TRE-85681e92-10
0.229
JOH-MSK-a63bdd1d-7
0.228
NIC-BIO-96ee2ca4-2
0.228
DUN-NEW-f8ce3686-11
0.227
ANT-OPE-47f3bb65-4
0.227