Molecular Properties | |
SMILES: | Cc1cccc(N2CCN(C(=O)c3ccnc4ccccc34)CC2)c1 |
MW: | 331.17 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 36.44 |
cLogP: | 3.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
UNK-UNK-2ede4078-79
0.494
UNK-UNK-2ede4078-45
0.476
AHN-SAT-02ef6d10-3
0.471
UNK-UNK-2ede4078-15
0.460
SAD-SAT-5b1897b2-4
0.444
UNK-UNK-2ede4078-42
0.442
UNK-UNK-2ede4078-75
0.404
MAT-POS-54c4bf04-3
0.382
UNK-UNK-2ede4078-24
0.366
UNK-UNK-2ede4078-76
0.360
ERI-UCB-a0b0dbcb-2
0.359
ERI-UCB-a0b0dbcb-4
0.358
BEN-DND-7e92b6ca-15
0.355
JAR-KUA-8c13982c-10
0.350
UNK-UNK-2ede4078-93
0.349
BEN-DND-7e92b6ca-12
0.347
MAR-UCB-f313ec4d-5
0.347
ERI-UCB-a0b0dbcb-3
0.347
WIL-UNI-d4749f31-7
0.344
WIL-UNI-2a57d06c-1
0.344
UNK-UNK-2ede4078-99
0.341
MAR-UCB-f313ec4d-6
0.337
ERI-UCB-ce40166b-21
0.330
MAT-POS-916a2c5a-4
0.322
EDJ-MED-78f964c8-1
0.322
UNK-UNK-2ede4078-92
0.319
UNK-UNK-2ede4078-53
0.315
MAT-POS-8fd29122-2
0.314
PET-UNK-82544c07-1
0.303
UNK-UNK-2ede4078-96
0.302
BEN-DND-7e92b6ca-14
0.301
MAT-POS-3b536971-2
0.300
MAT-POS-450cb4f9-2
0.299
BEN-DND-7e92b6ca-11
0.299
KRI-MAR-d2e3ef86-13
0.299
KRI-MAR-d2e3ef86-7
0.296
WIL-UNI-2a57d06c-38
0.296
UNK-UNK-2ede4078-69
0.296
MAK-UNK-6ca90168-2
0.294
MAK-UNK-6ca90168-1
0.294
SAD-SAT-65574d3f-9
0.287
MAT-POS-162a9720-2
0.282
NIL-NON-a189c016-1
0.282
BEN-DND-7e92b6ca-13
0.273
MAK-UNK-de8f6d00-2
0.270
JON-UNI-bb9dc649-16
0.268
KOV-VNK-5e1a909f-50
0.267
UNK-UNK-2ede4078-74
0.265
UNK-UNK-2ede4078-43
0.260
UNK-UNK-2ede4078-85
0.260
BEN-DND-7e92b6ca-16
0.258
MAT-POS-450cb4f9-1
0.257
EDJ-MED-d1cd9639-1
0.257
COM-UCB-1ef4e90e-1
0.255
MAR-TRE-a9136c7b-76
0.255
WIL-LEE-23e8b574-8
0.250
MAR-TRE-d0525fbf-84
0.248
PAT-UNK-b2d83456-3
0.247
AAR-POS-d2a4d1df-24
0.247
MAK-UNK-de8f6d00-7
0.246
BAR-COM-0f94fc3d-33
0.245
GAB-REV-70cc3ca5-4
0.245
SEL-UNI-8426c22c-4
0.245
SAD-SAT-135344c3-8
0.243
MIC-UNK-c5a20098-1
0.240
GIA-UNK-7337c2f3-8
0.239
MIH-UNI-e573136b-6
0.238
MAR-TRE-14ce9fd6-43
0.237
MIC-UNK-c5a20098-3
0.236
MAR-TRE-c8530538-13
0.234
BEN-DND-7e92b6ca-6
0.234
MED-COV-4280ac29-7
0.234
RED-RED-10c9212c-24
0.234
JON-UNI-bb9dc649-12
0.234
MAR-TRE-b77b7921-69
0.234
ERI-UCB-a0b0dbcb-1
0.234
NIR-THE-0d6461ce-1
0.233
BEN-DND-7e92b6ca-9
0.233
BAR-COM-0f94fc3d-55
0.233
NAU-LAT-c9bfe74c-4
0.233
NAU-LAT-56d5284e-5
0.233
SAD-SAT-c989feaa-8
0.232
AAR-UNI-c25c2f1e-98
0.232
DAR-DIA-5d6f1b43-20
0.232
MAR-TRE-92684b97-90
0.232
ERI-UCB-a0b0dbcb-13
0.231
MIC-UNK-c5a20098-2
0.231
WIL-UNI-d4749f31-36
0.231
WIL-UNI-2a57d06c-2
0.231
DAR-DIA-093892e4-9
0.230
MAK-UNK-c8c8f7e2-27
0.230
KRI-MAR-d2e3ef86-3
0.229
MIC-UNK-b9827f26-5
0.229
MAT-POS-590ac91e-63
0.229
JON-UNI-bb9dc649-18
0.229
LON-WEI-9739a092-6
0.229
MAT-POS-916a2c5a-3
0.229
MAT-POS-590ac91e-57
0.229
ERI-UCB-d6de1f3c-2
0.229
KRI-MAR-d2e3ef86-4
0.229