MMsINC Database Search


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MMsINC code: MMs00921153

Type: Neutral
Formula: C₂₃H₂₄N₄

SMILES:

n1cnc2n(cc(c2c1N(CCCC)C)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C23H24N4/c1-3-4-15-26(2)22-21-20(18-11-7-5-8-12-18)16-27(23(21)25-17-24-22)19-13-9-6-10-14-19/h5-14,16-17H,3-4,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.601 kcal/mol

Physical Properties
Molecular Weight: 356.473 g/mol	logS: -7.24182	SlogP: 5.3238	Reactive groups: 0

Topological Properties
Globularity: 0.103141	Sterimol/B1: 2.4748	Sterimol/B2: 4.96946	Sterimol/B3: 5.70312
Sterimol/B4: 6.60468	Sterimol/L: 17.7153

Surface and Volume Properties
Accessible surface: 643.115	Positive charged surface: 438.244	Negative charged surface: 201.602	Volume: 373.5
Hydrophobic surface: 563.845	Hydrophilic surface: 79.27

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: 1

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Ions/Tautomers related molecules: no related molecules available.