MMsINC Database Search


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MMsINC code: MMs01956876

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

O(c1cc(OCC)ccc1)c1nc(nc2c1cccc2)-c1cccc(OC)c1O

InChI:

InChI=1/C23H20N2O4/c1-3-28-15-8-6-9-16(14-15)29-23-17-10-4-5-12-19(17)24-22(25-23)18-11-7-13-20(27-2)21(18)26/h4-14,26H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.045 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -6.98007	SlogP: 5.202	Reactive groups: 0

Topological Properties
Globularity: 0.0765055	Sterimol/B1: 3.49499	Sterimol/B2: 4.29212	Sterimol/B3: 4.99528
Sterimol/B4: 9.95944	Sterimol/L: 16.5248

Surface and Volume Properties
Accessible surface: 681.467	Positive charged surface: 437.168	Negative charged surface: 236.662	Volume: 368
Hydrophobic surface: 583.658	Hydrophilic surface: 97.809

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.