MMsINC Database Search


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MMsINC code: MMs02008967

Type: Neutral
Formula: C₂₆H₁₉N₃O

SMILES:

O=C(Nc1ccc(cc1)-c1[nH]c2c(n1)cccc2)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C26H19N3O/c30-26(21-12-10-19(11-13-21)18-6-2-1-3-7-18)27-22-16-14-20(15-17-22)25-28-23-8-4-5-9-24(23)29-25/h1-17H,(H,27,30)(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.065 kcal/mol

Physical Properties
Molecular Weight: 389.458 g/mol	logS: -8.88661	SlogP: 6.1492	Reactive groups: 0

Topological Properties
Globularity: 0.00548172	Sterimol/B1: 2.41127	Sterimol/B2: 2.87527	Sterimol/B3: 3.89568
Sterimol/B4: 4.02988	Sterimol/L: 24.3668

Surface and Volume Properties
Accessible surface: 686.754	Positive charged surface: 351.85	Negative charged surface: 324.09	Volume: 382.25
Hydrophobic surface: 615.258	Hydrophilic surface: 71.496

Pharmacophoric Properties
Hydrogen bond donors: 3	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.