MMsINC Database Search


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MMsINC code: MMs00865951

Type: Neutral
Formula: C₂₅H₂₆N₄

SMILES:

n1cnc2n(cc(c2c1N1CCC(CC1)C)-c1ccccc1)-c1cc(ccc1)C

InChI:

InChI=1/C25H26N4/c1-18-11-13-28(14-12-18)24-23-22(20-8-4-3-5-9-20)16-29(25(23)27-17-26-24)21-10-6-7-19(2)15-21/h3-10,15-18H,11-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.136 kcal/mol

Physical Properties
Molecular Weight: 382.511 g/mol	logS: -7.94091	SlogP: 5.63222	Reactive groups: 0

Topological Properties
Globularity: 0.0776396	Sterimol/B1: 2.42302	Sterimol/B2: 4.86726	Sterimol/B3: 4.98875
Sterimol/B4: 6.96801	Sterimol/L: 17.7818

Surface and Volume Properties
Accessible surface: 653.817	Positive charged surface: 444.517	Negative charged surface: 206.423	Volume: 393.25
Hydrophobic surface: 567.07	Hydrophilic surface: 86.747

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.