MMsINC Database Search


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MMsINC code: MMs01956244

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(c1ccccc1CC=C)c1nc(nc2c1cccc2)-c1cccc(OC)c1O

InChI:

InChI=1/C24H20N2O3/c1-3-9-16-10-4-7-14-20(16)29-24-17-11-5-6-13-19(17)25-23(26-24)18-12-8-15-21(28-2)22(18)27/h3-8,10-15,27H,1,9H2,2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.871 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -7.76064	SlogP: 5.53177	Reactive groups: 0

Topological Properties
Globularity: 0.0359743	Sterimol/B1: 2.39761	Sterimol/B2: 3.77906	Sterimol/B3: 3.79647
Sterimol/B4: 10.2714	Sterimol/L: 16.2744

Surface and Volume Properties
Accessible surface: 644.869	Positive charged surface: 406.363	Negative charged surface: 229.54	Volume: 374.25
Hydrophobic surface: 542.19	Hydrophilic surface: 102.679

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.