MMsINC Database Search


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MMsINC code: MMs00822128

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O(c1ccc(cc1)C(OC)=O)c1nc(nc2c1cccc2)-c1ccc(cc1)C

InChI:

InChI=1/C23H18N2O3/c1-15-7-9-16(10-8-15)21-24-20-6-4-3-5-19(20)22(25-21)28-18-13-11-17(12-14-18)23(26)27-2/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.962 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -7.7697	SlogP: 5.18412	Reactive groups: 0

Topological Properties
Globularity: 0.012616	Sterimol/B1: 2.22451	Sterimol/B2: 2.51736	Sterimol/B3: 2.74909
Sterimol/B4: 11.8067	Sterimol/L: 17.0192

Surface and Volume Properties
Accessible surface: 635.415	Positive charged surface: 374.223	Negative charged surface: 251.072	Volume: 356
Hydrophobic surface: 562.601	Hydrophilic surface: 72.814

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.