MMsINC Database Search


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MMsINC code: MMs02803156

Type: Neutral
Formula: C₂₄H₂₆N₄O₃

SMILES:

O(C)c1c(OC)cc(cc1OC)-c1nc2n(C=CC=C2)c1Nc1ccc(N(C)C)cc1

InChI:

InChI=1/C24H26N4O3/c1-27(2)18-11-9-17(10-12-18)25-24-22(26-21-8-6-7-13-28(21)24)16-14-19(29-3)23(31-5)20(15-16)30-4/h6-15,25H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.956 kcal/mol

Physical Properties
Molecular Weight: 418.497 g/mol	logS: -5.02103	SlogP: 4.883	Reactive groups: 0

Topological Properties
Globularity: 0.0904252	Sterimol/B1: 3.94933	Sterimol/B2: 4.12735	Sterimol/B3: 4.37514
Sterimol/B4: 10.4287	Sterimol/L: 17.1417

Surface and Volume Properties
Accessible surface: 696.304	Positive charged surface: 547.875	Negative charged surface: 148.43	Volume: 411.5
Hydrophobic surface: 647.717	Hydrophilic surface: 48.587

Pharmacophoric Properties
Hydrogen bond donors: 1	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.