MMsINC Database Search


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MMsINC code: MMs00512842

Type: Neutral
Formula: C₂₃H₂₄N₂O₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)Nc1cc(ccc1)CCc1ncccc1

InChI:

InChI=1/C23H24N2O4/c1-27-20-14-17(15-21(28-2)22(20)29-3)23(26)25-19-9-6-7-16(13-19)10-11-18-8-4-5-12-24-18/h4-9,12-15H,10-11H2,1-3H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.839 kcal/mol

Physical Properties
Molecular Weight: 392.455 g/mol	logS: -4.26519	SlogP: 4.14484	Reactive groups: 0

Topological Properties
Globularity: 0.0278701	Sterimol/B1: 2.8004	Sterimol/B2: 3.53722	Sterimol/B3: 4.22061
Sterimol/B4: 8.41603	Sterimol/L: 20.4008

Surface and Volume Properties
Accessible surface: 718.993	Positive charged surface: 529.362	Negative charged surface: 189.631	Volume: 387.25
Hydrophobic surface: 655.91	Hydrophilic surface: 63.083

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.