MMsINC Database Search


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MMsINC code: MMs00885306

Type: Neutral
Formula: C₂₄H₂₄N₄

SMILES:

n1cnc2n(cc(c2c1N1CCC(CC1)C)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H24N4/c1-18-12-14-27(15-13-18)23-22-21(19-8-4-2-5-9-19)16-28(24(22)26-17-25-23)20-10-6-3-7-11-20/h2-11,16-18H,12-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.104 kcal/mol

Physical Properties
Molecular Weight: 368.484 g/mol	logS: -7.46699	SlogP: 5.3238	Reactive groups: 0

Topological Properties
Globularity: 0.075788	Sterimol/B1: 3.60291	Sterimol/B2: 3.67889	Sterimol/B3: 5.13719
Sterimol/B4: 6.70355	Sterimol/L: 17.5814

Surface and Volume Properties
Accessible surface: 623.447	Positive charged surface: 417.012	Negative charged surface: 202.806	Volume: 376.875
Hydrophobic surface: 537.851	Hydrophilic surface: 85.596

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.