MMsINC Database Search


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MMsINC code: MMs01021615

Type: Neutral
Formula: C₂₃H₁₈N₄O₂

SMILES:

Oc1ccccc1-c1n2-c3c(cccc3)C(=O)N(c2nn1)Cc1ccc(cc1)C

InChI:

InChI=1/C23H18N4O2/c1-15-10-12-16(13-11-15)14-26-22(29)17-6-2-4-8-19(17)27-21(24-25-23(26)27)18-7-3-5-9-20(18)28/h2-13,28H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.01 kcal/mol

Physical Properties
Molecular Weight: 382.423 g/mol	logS: -7.08702	SlogP: 4.37512	Reactive groups: 0

Topological Properties
Globularity: 0.126404	Sterimol/B1: 2.32998	Sterimol/B2: 2.75064	Sterimol/B3: 6.00005
Sterimol/B4: 7.72373	Sterimol/L: 16.7474

Surface and Volume Properties
Accessible surface: 616.783	Positive charged surface: 341.456	Negative charged surface: 275.328	Volume: 360.125
Hydrophobic surface: 501.963	Hydrophilic surface: 114.82

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.