MMsINC Database Search


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MMsINC code: MMs03264427

Type: Neutral
Formula: C₂₄H₂₇N₃

SMILES:

n1c2c(CCCCC2)c(N2CCN(CC2)c2ccccc2)c2c1cccc2

InChI:

InChI=1/C24H27N3/c1-3-9-19(10-4-1)26-15-17-27(18-16-26)24-20-11-5-2-6-13-22(20)25-23-14-8-7-12-21(23)24/h1,3-4,7-10,12,14H,2,5-6,11,13,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=257.524 kcal/mol

Physical Properties
Molecular Weight: 357.501 g/mol	logS: -5.37545	SlogP: 4.83024	Reactive groups: 0

Topological Properties
Globularity: 0.08234	Sterimol/B1: 3.4819	Sterimol/B2: 3.69617	Sterimol/B3: 4.14416
Sterimol/B4: 8.20601	Sterimol/L: 16.5549

Surface and Volume Properties
Accessible surface: 617.251	Positive charged surface: 415.825	Negative charged surface: 198.098	Volume: 365.625
Hydrophobic surface: 580.049	Hydrophilic surface: 37.202

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.