Molecular Properties | |
SMILES: | CC1CNCC1CN(CC(=O)N1CCN(C)CC1)C(O)N1CCN(C2CCCCC2N([O])O)CC1 |
MW: | 496.677 |
Fraction sp3: | 0.96 |
HBA: | 9 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 108.9 |
cLogP: | -0.840699999999992 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
gte_4_basic_N
non_ring_acetal
het-C-het not in ring
Oxygen-nitrogen single bond
Methylendiamines (1)
C, N, O, P and S atoms in unusual valence states
Singel acyclic N-O bonds
Filter77_alkyl_NO2
acyclic N-C-N
acyclic NO not nitro
Nitrosone_not_nitro
MAT-CRI-9411f3da-1
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JOH-IMS-cc7b4c67-3
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MAK-UNK-b1917cc8-3
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GIA-UNK-20b63697-5
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ALE-SYG-bac15da4-1
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SID-ELM-1f105489-2
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GIA-UNK-20b63697-3
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AAR-POS-d2a4d1df-20
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AND-WAB-9085730e-1
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JOH-IMS-cc7b4c67-5
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JON-UNI-2a110085-1
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GIA-UNK-20b63697-6
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MAK-UNK-b1917cc8-1
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MIC-UNK-a28eba03-2
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GIA-UNK-20b63697-4
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GIA-UNK-20b63697-2
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JAR-KUA-672ec752-11
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SID-ELM-1f105489-1
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AAR-POS-d2a4d1df-6
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RAF-UNK-9885c2f5-2
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SID-ELM-1f105489-6
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JAR-KUA-672ec752-14
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JAR-KUA-672ec752-3
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JOH-IMS-cc7b4c67-1
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IND-SYN-6c8299e8-4
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SID-ELM-1f105489-8
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KAT-FAI-9b65c29e-3
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NIC-UNI-f08e2453-1
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JOH-IMS-cc7b4c67-6
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MAK-UNK-212f693e-19
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SID-ELM-1f105489-7
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MAR-LAB-ff9967db-32
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DRR-IMP-11d47bff-1
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JON-UNI-4b544d07-2
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GIA-UNK-20b63697-9
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VIK-SYN-bf9c9ac8-2
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GIA-UNK-7337c2f3-9
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MAR-TRE-f5c2d31c-93
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MAR-TRE-6a44bbf2-77
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YOI-UNK-12211982-2
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YOI-UNK-a533afbc-2
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GIA-UNK-20b63697-8
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MAT-POS-2492181e-10
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IFT-SAT-023cfffe-5
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MIH-UNI-e573136b-7
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RIC-ARG-a8e88843-3
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DAR-DIA-fb20be43-14
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RAF-UNK-9885c2f5-1
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JON-UNI-2a110085-4
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HEN-UNK-30ca0e4e-1
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MAR-TRE-b77b7921-96
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AND-WAB-bfd3647f-2
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MAK-UNK-d4768348-2
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MAK-UNK-212f693e-33
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NIC-BIO-5044b423-1
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MAK-UNK-10572812-15
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MAK-UNK-b1917cc8-4
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VIK-SYN-9a3d118a-8
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MAT-MCD-d830d9d8-1
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NIM-UNI-310206f0-25
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MAK-UNK-e4a48a85-24
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MAR-TRE-d0525fbf-97
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NIM-UNI-310206f0-63
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NAU-LAT-ec9c7557-3
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MAK-UNK-10572812-16
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JON-FRA-b98848c1-1
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VIK-SYN-bf9c9ac8-1
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YOI-UNK-15f562e8-4
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GIA-UNK-3f36037a-1
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RAF-POL-950dada1-12
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MAT-POS-ea426761-43
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MAR-SOS-82e3a7c7-4
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NIC-BIO-29f4a211-1
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SAD-SAT-1f400d17-5
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MAR-SOS-c7881798-7
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MAK-UNK-10572812-14
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TIM-INF-fd8b8e92-1
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MAK-UNK-e4a48a85-13
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WAR-XCH-b0339bbe-18
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WIL-UNI-1faa9b10-40
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LON-WEI-4d77710c-27
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