MMsINC Database Search


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MMsINC code: MMs02248155

Type: Neutral
Formula: C₁₇H₂₃N₃

SMILES:

N(C)(C)c1cc(N)c(cc1)Cc1ccc(N(C)C)cc1

InChI:

InChI=1/C17H23N3/c1-19(2)15-8-5-13(6-9-15)11-14-7-10-16(20(3)4)12-17(14)18/h5-10,12H,11,18H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.431 kcal/mol

Physical Properties
Molecular Weight: 269.392 g/mol	logS: -2.76351	SlogP: 2.99157	Reactive groups: 0

Topological Properties
Globularity: 0.133688	Sterimol/B1: 2.14894	Sterimol/B2: 3.26744	Sterimol/B3: 5.62626
Sterimol/B4: 6.16362	Sterimol/L: 15.6952

Surface and Volume Properties
Accessible surface: 541.188	Positive charged surface: 438.057	Negative charged surface: 103.131	Volume: 291.75
Hydrophobic surface: 501.531	Hydrophilic surface: 39.657

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.