MMsINC Database Search


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MMsINC code: MMs02316980

Type: Neutral
Formula: C₁₅H₂₀N₄

SMILES:

Nc1cc(N)c(cc1Cc1cc(C)c(N)cc1N)C

InChI:

InChI=1/C15H20N4/c1-8-3-10(14(18)6-12(8)16)5-11-4-9(2)13(17)7-15(11)19/h3-4,6-7H,5,16-19H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.399 kcal/mol

Physical Properties
Molecular Weight: 256.353 g/mol	logS: -2.39227	SlogP: 2.22301	Reactive groups: 0

Topological Properties
Globularity: 0.129444	Sterimol/B1: 2.89867	Sterimol/B2: 3.21885	Sterimol/B3: 4.43609
Sterimol/B4: 6.37619	Sterimol/L: 13.2499

Surface and Volume Properties
Accessible surface: 488.089	Positive charged surface: 346.496	Negative charged surface: 141.593	Volume: 258.75
Hydrophobic surface: 307.825	Hydrophilic surface: 180.264

Pharmacophoric Properties
Hydrogen bond donors: 4	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.