MMsINC Database Search


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MMsINC code: MMs01156409

Type: Neutral
Formula: C₂₄H₃₅N₃O₄

SMILES:

O(CCCN(C(=O)c1ccccc1C)CC(=O)N(Cc1n(ccc1)C)CCOC)CC

InChI:

InChI=1/C24H35N3O4/c1-5-31-16-9-14-27(24(29)22-12-7-6-10-20(22)2)19-23(28)26(15-17-30-4)18-21-11-8-13-25(21)3/h6-8,10-13H,5,9,14-19H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.779 kcal/mol

Physical Properties
Molecular Weight: 429.561 g/mol	logS: -3.03783	SlogP: 3.50312	Reactive groups: 0

Topological Properties
Globularity: 0.103569	Sterimol/B1: 2.86008	Sterimol/B2: 4.19235	Sterimol/B3: 4.52835
Sterimol/B4: 9.69126	Sterimol/L: 16.7677

Surface and Volume Properties
Accessible surface: 761.731	Positive charged surface: 556.198	Negative charged surface: 205.533	Volume: 443.875
Hydrophobic surface: 660.321	Hydrophilic surface: 101.41

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.