MMsINC Database Search


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MMsINC code: MMs01152879

Type: Neutral
Formula: C₂₀H₃₀N₄O₄

SMILES:

O(C(=O)CNC(=O)Nc1cc(C(=O)NC2CCCCC2)c(N(C)C)cc1)CC

InChI:

InChI=1/C20H30N4O4/c1-4-28-18(25)13-21-20(27)23-15-10-11-17(24(2)3)16(12-15)19(26)22-14-8-6-5-7-9-14/h10-12,14H,4-9,13H2,1-3H3,(H,22,26)(H2,21,23,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.554 kcal/mol

Physical Properties
Molecular Weight: 390.484 g/mol	logS: -3.70825	SlogP: 2.4997	Reactive groups: 1

Topological Properties
Globularity: 0.0439547	Sterimol/B1: 3.51202	Sterimol/B2: 3.7003	Sterimol/B3: 5.77867
Sterimol/B4: 7.93004	Sterimol/L: 18.56

Surface and Volume Properties
Accessible surface: 717.164	Positive charged surface: 563.602	Negative charged surface: 153.562	Volume: 383.25
Hydrophobic surface: 561.001	Hydrophilic surface: 156.163

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.