MMsINC Database Search


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MMsINC code: MMs00192141

Type: Neutral
Formula: C₂₅H₁₆N₂O₂

SMILES:

O1c2cc(ccc2OC1)-c1nc2c(c3c(nccc3)cc2)c(c1)-c1ccccc1

InChI:

InChI=1/C25H16N2O2/c1-2-5-16(6-3-1)19-14-22(17-8-11-23-24(13-17)29-15-28-23)27-21-10-9-20-18(25(19)21)7-4-12-26-20/h1-14H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=169.347 kcal/mol

Physical Properties
Molecular Weight: 376.415 g/mol	logS: -7.33862	SlogP: 5.8457	Reactive groups: 0

Topological Properties
Globularity: 0.0340637	Sterimol/B1: 2.23012	Sterimol/B2: 3.55863	Sterimol/B3: 3.61126
Sterimol/B4: 9.62882	Sterimol/L: 17.3877

Surface and Volume Properties
Accessible surface: 611.723	Positive charged surface: 371.25	Negative charged surface: 225.572	Volume: 356.125
Hydrophobic surface: 512.057	Hydrophilic surface: 99.666

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.