MMsINC Database Search


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MMsINC code: MMs00216998

Type: Neutral
Formula: C₁₈H₂₆N₄O₄

SMILES:

O(C)c1cc(ccc1O)C1N(C)C(=O)N(C2N(C)C(=O)N(C)C(C12)C)C

InChI:

InChI=1/C18H26N4O4/c1-10-14-15(11-7-8-12(23)13(9-11)26-6)20(3)18(25)22(5)16(14)21(4)17(24)19(10)2/h7-10,14-16,23H,1-6H3/t10-,14-,15-,16+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4753 kcal/mol

Physical Properties
Molecular Weight: 362.43 g/mol	logS: -1.23244	SlogP: 1.8626	Reactive groups: 0

Topological Properties
Globularity: 0.322009	Sterimol/B1: 3.74733	Sterimol/B2: 4.07613	Sterimol/B3: 5.81759
Sterimol/B4: 6.0457	Sterimol/L: 13.4348

Surface and Volume Properties
Accessible surface: 572.299	Positive charged surface: 465.63	Negative charged surface: 106.669	Volume: 341.75
Hydrophobic surface: 453.596	Hydrophilic surface: 118.703

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.