Molecular Properties | |
SMILES: | Cn1ccc2cccc(N(C(=O)Nc3cccnc3)C3CCC(O)CC3)c21 |
MW: | 364.449 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 70.39 |
cLogP: | 3.9153 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
DUN-NEW-f8ce3686-18
0.631
DUN-NEW-f8ce3686-16
0.583
WAR-XCH-bdd24732-7
0.449
DUN-NEW-f8ce3686-19
0.400
ASH-UNK-40b46b30-9
0.378
JOR-UNI-2fc98d0b-13
0.370
JOR-UNI-61e7b1d5-24
0.369
JOR-UNI-61e7b1d5-25
0.367
DUN-NEW-f8ce3686-15
0.364
JOR-UNI-2fc98d0b-3
0.364
JOR-UNI-61e7b1d5-5
0.363
JOR-UNI-2fc98d0b-15
0.350
JOR-UNI-2fc98d0b-14
0.343
JOR-UNI-61e7b1d5-22
0.343
JOR-UNI-61e7b1d5-6
0.339
WIL-UNI-5578df48-2
0.338
JOR-UNI-2fc98d0b-8
0.337
JOR-UNI-61e7b1d5-9
0.337
DOU-UNK-b5326f8f-19
0.330
JOH-IMS-62aeb97d-3
0.329
ANT-DIA-3c79be55-5
0.326
DAR-DIA-842b4336-2
0.325
JOR-UNI-61e7b1d5-14
0.324
JOR-UNI-61e7b1d5-28
0.324
JOR-UNI-2fc98d0b-5
0.324
JOR-UNI-2fc98d0b-11
0.324
MED-UNK-e6e8ef8a-3
0.322
ALE-HEI-f28a35b5-16
0.321
JOR-UNI-61e7b1d5-20
0.320
ALE-HEI-f28a35b5-8
0.318
JOR-UNI-61e7b1d5-18
0.317
SAN-PRS-52b81272-3
0.317
SAD-SAT-135344c3-9
0.317
MAR-TRE-2fd8122f-50
0.316
ASH-UNK-40b46b30-13
0.316
MAK-UNK-f0bfc2e0-1
0.316
MAK-UNK-ca11b4f7-2
0.316
MAK-UNK-ca11b4f7-3
0.316
JOR-UNI-61e7b1d5-29
0.315
MED-UNK-e6e8ef8a-4
0.315
MAR-TRE-9c797165-80
0.315
JOH-IMS-62aeb97d-1
0.314
JOR-UNI-2fc98d0b-12
0.314
MAR-TRE-74c6519b-51
0.312
JOR-UNI-61e7b1d5-27
0.312
JOR-UNI-61e7b1d5-31
0.312
EMI-TUK-a58865cc-1
0.312
JOR-UNI-61e7b1d5-23
0.312
ASH-UNK-40b46b30-3
0.312
EMI-TUK-a58865cc-3
0.312
JOH-IMS-62aeb97d-5
0.312
JOR-UNI-61e7b1d5-30
0.311
DUN-NEW-f8ce3686-4
0.311
FRA-FAC-9ed5a63a-4
0.311
MAR-TRE-2fd8122f-48
0.311
JOR-UNI-2fc98d0b-17
0.311
MED-UNK-e6e8ef8a-1
0.310
DAR-DIA-842b4336-11
0.310
MED-UNK-e6e8ef8a-5
0.310
FRA-FAC-9ed5a63a-3
0.310
MAR-TRE-67513f76-92
0.309
MAR-TRE-67513f76-20
0.309
JOR-UNI-61e7b1d5-26
0.308
WIL-UNI-5578df48-3
0.308
JOR-UNI-61e7b1d5-17
0.307
BEN-DND-362d364a-11
0.307
MIK-MCD-9143301b-1
0.306
JOR-UNI-61e7b1d5-19
0.306
JOR-UNI-61e7b1d5-16
0.306
ALE-HEI-f28a35b5-14
0.305
JOR-UNI-2fc98d0b-6
0.305
JOR-UNI-2fc98d0b-10
0.305
WIL-UNI-5578df48-4
0.304
JOR-UNI-2fc98d0b-16
0.304
WIL-UNI-5578df48-30
0.304
MAR-TRE-2fd8122f-49
0.303
JOR-UNI-61e7b1d5-21
0.303
MAR-TRE-67513f76-81
0.303
MAR-TRE-7f7bb9f0-97
0.302
JOR-UNI-61e7b1d5-12
0.302
EMI-TUK-a58865cc-5
0.301
MAK-UNK-c749d764-13
0.301
MAR-TRE-f6f5f473-84
0.301
BEN-BAS-e0d85f98-1
0.301
MAR-TRE-7f7bb9f0-15
0.301
WIL-UNI-5578df48-1
0.300
MAK-UNK-009ebe36-3
0.300
SAD-SAT-135344c3-4
0.300
MAR-TRE-2fd8122f-81
0.300
SAD-SAT-689b7d5a-9
0.300
JOR-UNI-61e7b1d5-3
0.299
MAR-TRE-2fd8122f-75
0.299
MAR-TRE-3e4e6814-49
0.299
MAR-TRE-2fd8122f-72
0.299
MAR-TRE-b77b7921-85
0.299
MAR-TRE-7f7bb9f0-33
0.299
MAR-TRE-7f7bb9f0-68
0.299
MAR-TRE-b77b7921-71
0.299
MAR-TRE-b77b7921-80
0.299
FRA-FAC-9ed5a63a-1
0.299