MMsINC Database Search


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MMsINC code: MMs01521824

Type: Neutral
Formula: C₂₀H₂₆N₄O₄

SMILES:

O(C)c1c(OC)cc(cc1OC)CCC(=O)N1CCN(CC1)c1ncccn1

InChI:

InChI=1/C20H26N4O4/c1-26-16-13-15(14-17(27-2)19(16)28-3)5-6-18(25)23-9-11-24(12-10-23)20-21-7-4-8-22-20/h4,7-8,13-14H,5-6,9-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.538 kcal/mol

Physical Properties
Molecular Weight: 386.452 g/mol	logS: -2.89474	SlogP: 1.78377	Reactive groups: 0

Topological Properties
Globularity: 0.0689594	Sterimol/B1: 2.51811	Sterimol/B2: 3.458	Sterimol/B3: 5.27096
Sterimol/B4: 8.75794	Sterimol/L: 19.7967

Surface and Volume Properties
Accessible surface: 686.201	Positive charged surface: 588.332	Negative charged surface: 97.8697	Volume: 374.125
Hydrophobic surface: 604.298	Hydrophilic surface: 81.903

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.