MMsINC Database Search


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MMsINC code: MMs03116100

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C)c1cc(ccc1OC)C(=O)N\N=C\c1c2c(cc3c1cccc3)cccc2

InChI:

InChI=1/C24H20N2O3/c1-28-22-12-11-18(14-23(22)29-2)24(27)26-25-15-21-19-9-5-3-7-16(19)13-17-8-4-6-10-20(17)21/h3-15H,1-2H3,(H,26,27)/b25-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.597 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -7.39467	SlogP: 4.7741	Reactive groups: 0

Topological Properties
Globularity: 0.00334146	Sterimol/B1: 2.40487	Sterimol/B2: 2.72352	Sterimol/B3: 3.40436
Sterimol/B4: 8.96316	Sterimol/L: 18.7865

Surface and Volume Properties
Accessible surface: 662.769	Positive charged surface: 412.257	Negative charged surface: 229.179	Volume: 370
Hydrophobic surface: 581.542	Hydrophilic surface: 81.227

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.