MMsINC Database Search


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MMsINC code: MMs00991705

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O(C)c1ccc(OC)cc1CCNC(=O)Cn1cccc1C(=O)c1ccccc1C

InChI:

InChI=1/C24H26N2O4/c1-17-7-4-5-8-20(17)24(28)21-9-6-14-26(21)16-23(27)25-13-12-18-15-19(29-2)10-11-22(18)30-3/h4-11,14-15H,12-13,16H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.234 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -4.52446	SlogP: 3.66999	Reactive groups: 0

Topological Properties
Globularity: 0.0656528	Sterimol/B1: 2.26691	Sterimol/B2: 4.84488	Sterimol/B3: 5.48695
Sterimol/B4: 7.25564	Sterimol/L: 18.2649

Surface and Volume Properties
Accessible surface: 726.808	Positive charged surface: 496.486	Negative charged surface: 230.322	Volume: 405.375
Hydrophobic surface: 641.059	Hydrophilic surface: 85.749

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.