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MMsINC code: MMs02615809

Type: Neutral
Formula: C₂₆H₂₄N₄O

SMILES:

O=C(N1CCN(CC1)Cc1ccccc1)c1nc2c(cc1)cncc2-c1ccccc1

InChI:

InChI=1/C26H24N4O/c31-26(30-15-13-29(14-16-30)19-20-7-3-1-4-8-20)24-12-11-22-17-27-18-23(25(22)28-24)21-9-5-2-6-10-21/h1-12,17-18H,13-16,19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=175.859 kcal/mol

Physical Properties
Molecular Weight: 408.505 g/mol	logS: -5.14935	SlogP: 4.5212	Reactive groups: 0

Topological Properties
Globularity: 0.104562	Sterimol/B1: 3.28391	Sterimol/B2: 3.68818	Sterimol/B3: 4.5555
Sterimol/B4: 7.9976	Sterimol/L: 15.6775

Surface and Volume Properties
Accessible surface: 619.932	Positive charged surface: 417.218	Negative charged surface: 195.071	Volume: 400.375
Hydrophobic surface: 548.284	Hydrophilic surface: 71.648

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules

MMs02615810
PEAKDALE-ZINC04229051