MMsINC Database Search


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MMsINC code: MMs00199155

Type: Neutral
Formula: C₂₅H₁₈N₂O₂

SMILES:

o1c2c(nc1-c1cc(ccc1)C)cc(\N=C\c1c3c(ccc1O)cccc3)cc2

InChI:

InChI=1/C25H18N2O2/c1-16-5-4-7-18(13-16)25-27-22-14-19(10-12-24(22)29-25)26-15-21-20-8-3-2-6-17(20)9-11-23(21)28/h2-15,28H,1H3/b26-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.425 kcal/mol

Physical Properties
Molecular Weight: 378.431 g/mol	logS: -8.61514	SlogP: 6.41262	Reactive groups: 0

Topological Properties
Globularity: 0.0193473	Sterimol/B1: 3.15916	Sterimol/B2: 3.41068	Sterimol/B3: 3.41901
Sterimol/B4: 6.34856	Sterimol/L: 21.0723

Surface and Volume Properties
Accessible surface: 666.949	Positive charged surface: 374.852	Negative charged surface: 282.253	Volume: 368.5
Hydrophobic surface: 578.921	Hydrophilic surface: 88.028

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.