MMsINC Database Search


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MMsINC code: MMs03160609

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O(c1cc(ccc1)C)c1cc2cc([nH]c2cc1)C(=O)NCc1cc(OC)ccc1

InChI:

InChI=1/C24H22N2O3/c1-16-5-3-8-20(11-16)29-21-9-10-22-18(13-21)14-23(26-22)24(27)25-15-17-6-4-7-19(12-17)28-2/h3-14,26H,15H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6767 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -6.04874	SlogP: 5.47362	Reactive groups: 0

Topological Properties
Globularity: 0.0427582	Sterimol/B1: 3.60853	Sterimol/B2: 3.98061	Sterimol/B3: 4.44892
Sterimol/B4: 5.00597	Sterimol/L: 22.5889

Surface and Volume Properties
Accessible surface: 711.311	Positive charged surface: 433.699	Negative charged surface: 272.004	Volume: 378.25
Hydrophobic surface: 623.44	Hydrophilic surface: 87.871

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.