MMsINC Database Search


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MMsINC code: MMs01176717

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O1c2cc(ccc2OC1)CCC(=O)N(Cc1cc2c(nc1)cccc2)CC(C)C

InChI:

InChI=1/C24H26N2O3/c1-17(2)14-26(15-19-11-20-5-3-4-6-21(20)25-13-19)24(27)10-8-18-7-9-22-23(12-18)29-16-28-22/h3-7,9,11-13,17H,8,10,14-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9749 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -4.4107	SlogP: 4.84727	Reactive groups: 0

Topological Properties
Globularity: 0.098414	Sterimol/B1: 2.31808	Sterimol/B2: 2.58492	Sterimol/B3: 5.41784
Sterimol/B4: 10.3558	Sterimol/L: 17.1215

Surface and Volume Properties
Accessible surface: 678.519	Positive charged surface: 442.133	Negative charged surface: 231.14	Volume: 388.875
Hydrophobic surface: 540.863	Hydrophilic surface: 137.656

Pharmacophoric Properties
Hydrogen bond donors: 0	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.