MMsINC Database Search


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MMsINC code: MMs00507214

Type: Neutral
Formula: C₂₆H₂₀N₂O₃

SMILES:

O(C)c1cc(cc(OC)c1O)-c1nc2c(c3c(nccc3)cc2)c(c1)-c1ccccc1

InChI:

InChI=1/C26H20N2O3/c1-30-23-13-17(14-24(31-2)26(23)29)22-15-19(16-7-4-3-5-8-16)25-18-9-6-12-27-20(18)10-11-21(25)28-22/h3-15,29H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=195.538 kcal/mol

Physical Properties
Molecular Weight: 408.457 g/mol	logS: -7.12233	SlogP: 5.8398	Reactive groups: 0

Topological Properties
Globularity: 0.0341824	Sterimol/B1: 3.27826	Sterimol/B2: 3.52979	Sterimol/B3: 3.59279
Sterimol/B4: 9.44392	Sterimol/L: 16.348

Surface and Volume Properties
Accessible surface: 667.588	Positive charged surface: 457.683	Negative charged surface: 195.663	Volume: 388.875
Hydrophobic surface: 563.442	Hydrophilic surface: 104.146

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: 0

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Ions/Tautomers related molecules: no related molecules available.