MMsINC Database Search


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MMsINC code: MMs01247467

Type: Neutral
Formula: C₂₄H₃₂N₂O₄

SMILES:

O(CCOc1ccc(cc1)C(NOC)=C(C)C)c1ccc(cc1)C(NOC)=C(C)C

InChI:

InChI=1/C24H32N2O4/c1-17(2)23(25-27-5)19-7-11-21(12-8-19)29-15-16-30-22-13-9-20(10-14-22)24(18(3)4)26-28-6/h7-14,25-26H,15-16H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.213 kcal/mol

Physical Properties
Molecular Weight: 412.53 g/mol	logS: -4.09832	SlogP: 4.9482	Reactive groups: 0

Topological Properties
Globularity: 0.0200444	Sterimol/B1: 3.14677	Sterimol/B2: 3.78038	Sterimol/B3: 3.86399
Sterimol/B4: 6.60852	Sterimol/L: 22.3565

Surface and Volume Properties
Accessible surface: 791.858	Positive charged surface: 584.372	Negative charged surface: 207.486	Volume: 425.75
Hydrophobic surface: 751.518	Hydrophilic surface: 40.34

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.