MMsINC Database Search


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MMsINC code: MMs01154891

Type: Neutral
Formula: C₂₃H₃₂N₄O₄

SMILES:

O(C)c1cc(ccc1OC)CCNC(=O)CCN(C(=O)c1ncc(nc1)C)CCCC

InChI:

InChI=1/C23H32N4O4/c1-5-6-12-27(23(29)19-16-25-17(2)15-26-19)13-10-22(28)24-11-9-18-7-8-20(30-3)21(14-18)31-4/h7-8,14-16H,5-6,9-13H2,1-4H3,(H,24,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.446 kcal/mol

Physical Properties
Molecular Weight: 428.533 g/mol	logS: -2.40387	SlogP: 2.79349	Reactive groups: 0

Topological Properties
Globularity: 0.0354919	Sterimol/B1: 2.27023	Sterimol/B2: 2.33822	Sterimol/B3: 4.97746
Sterimol/B4: 11.3767	Sterimol/L: 20.6704

Surface and Volume Properties
Accessible surface: 784.803	Positive charged surface: 609.607	Negative charged surface: 175.196	Volume: 428.375
Hydrophobic surface: 656.057	Hydrophilic surface: 128.746

Pharmacophoric Properties
Hydrogen bond donors: 1	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.