MMsINC Database Search


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MMsINC code: MMs01958447

Type: Neutral
Formula: C₂₆H₁₉N₃O

SMILES:

O=C1n2c3c(c4c2cccc4)c(cnc3-c2c1cccc2)-c1ccc(N(C)C)cc1

InChI:

InChI=1/C26H19N3O/c1-28(2)17-13-11-16(12-14-17)21-15-27-24-18-7-3-4-8-19(18)26(30)29-22-10-6-5-9-20(22)23(21)25(24)29/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.292 kcal/mol

Physical Properties
Molecular Weight: 389.458 g/mol	logS: -7.41601	SlogP: 5.5914	Reactive groups: 0

Topological Properties
Globularity: 0.0267842	Sterimol/B1: 2.51849	Sterimol/B2: 3.46647	Sterimol/B3: 4.22184
Sterimol/B4: 8.40667	Sterimol/L: 18.5205

Surface and Volume Properties
Accessible surface: 630.158	Positive charged surface: 386.091	Negative charged surface: 225.25	Volume: 378
Hydrophobic surface: 581.398	Hydrophilic surface: 48.76

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.