MMsINC Database Search


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MMsINC code: MMs00937305

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

O(C)c1cc2c(cc1OC)C(=O)N(C=C2C(=O)N(C)c1cc(ccc1C)C)CC

InChI:

InChI=1/C23H26N2O4/c1-7-25-13-18(22(26)24(4)19-10-14(2)8-9-15(19)3)16-11-20(28-5)21(29-6)12-17(16)23(25)27/h8-13H,7H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.523 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -4.78238	SlogP: 3.80024	Reactive groups: 0

Topological Properties
Globularity: 0.0526589	Sterimol/B1: 2.54367	Sterimol/B2: 3.07265	Sterimol/B3: 4.3702
Sterimol/B4: 11.2435	Sterimol/L: 16.3304

Surface and Volume Properties
Accessible surface: 654.313	Positive charged surface: 466.739	Negative charged surface: 187.573	Volume: 390.125
Hydrophobic surface: 563.315	Hydrophilic surface: 90.998

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.