MMsINC Database Search


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MMsINC code: MMs01815965

Type: Neutral
Formula: C₂₄H₁₈N₄O₃

SMILES:

O1c2cc(ccc2OC1)Cn1c2nc3c(nc2nc1-c1ccc(OC)cc1)cccc3

InChI:

InChI=1/C24H18N4O3/c1-29-17-9-7-16(8-10-17)23-27-22-24(26-19-5-3-2-4-18(19)25-22)28(23)13-15-6-11-20-21(12-15)31-14-30-20/h2-12H,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.812 kcal/mol

Physical Properties
Molecular Weight: 410.433 g/mol	logS: -7.93095	SlogP: 4.6985	Reactive groups: 0

Topological Properties
Globularity: 0.0885177	Sterimol/B1: 2.23288	Sterimol/B2: 3.08298	Sterimol/B3: 4.76653
Sterimol/B4: 8.97518	Sterimol/L: 18.0262

Surface and Volume Properties
Accessible surface: 654.557	Positive charged surface: 426.705	Negative charged surface: 227.852	Volume: 375.625
Hydrophobic surface: 517.674	Hydrophilic surface: 136.883

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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: 0

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Ions/Tautomers related molecules: no related molecules available.