MMsINC Database Search


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MMsINC code: MMs00937322

Type: Neutral
Formula: C₂₄H₂₈N₂O₄

SMILES:

O(C)c1cc2c(cc1OC)C(=O)N(C=C2C(=O)N(C)c1ccccc1C)CC(C)C

InChI:

InChI=1/C24H28N2O4/c1-15(2)13-26-14-19(23(27)25(4)20-10-8-7-9-16(20)3)17-11-21(29-5)22(30-6)12-18(17)24(26)28/h7-12,14-15H,13H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.48 kcal/mol

Physical Properties
Molecular Weight: 408.498 g/mol	logS: -4.712	SlogP: 4.12792	Reactive groups: 0

Topological Properties
Globularity: 0.0714266	Sterimol/B1: 3.74098	Sterimol/B2: 3.79696	Sterimol/B3: 4.03343
Sterimol/B4: 9.98585	Sterimol/L: 15.4443

Surface and Volume Properties
Accessible surface: 678.25	Positive charged surface: 480.491	Negative charged surface: 197.759	Volume: 406
Hydrophobic surface: 579.156	Hydrophilic surface: 99.094

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.