MMsINC Database Search


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MMsINC code: MMs00660995

Type: Neutral
Formula: C₂₅H₁₈N₄O

SMILES:

O=C(Nc1c2c(ccc1)cccc2)c1cn(nc1-c1cccnc1)-c1ccccc1

InChI:

InChI=1/C25H18N4O/c30-25(27-23-14-6-9-18-8-4-5-13-21(18)23)22-17-29(20-11-2-1-3-12-20)28-24(22)19-10-7-15-26-16-19/h1-17H,(H,27,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.91 kcal/mol

Physical Properties
Molecular Weight: 390.446 g/mol	logS: -6.5237	SlogP: 5.3398	Reactive groups: 0

Topological Properties
Globularity: 0.0237349	Sterimol/B1: 2.77765	Sterimol/B2: 2.9316	Sterimol/B3: 3.32133
Sterimol/B4: 11.8647	Sterimol/L: 17.2242

Surface and Volume Properties
Accessible surface: 667.718	Positive charged surface: 355.997	Negative charged surface: 300.107	Volume: 377.75
Hydrophobic surface: 607.63	Hydrophilic surface: 60.088

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.