MMsINC Database Search


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MMsINC code: MMs02249266

Type: Neutral
Formula: C₁₈H₂₆N₄

SMILES:

N(C)(C)c1cc(N)c(cc1Cc1ccc(N(C)C)cc1N)C

InChI:

InChI=1/C18H26N4/c1-12-8-14(18(22(4)5)11-16(12)19)9-13-6-7-15(21(2)3)10-17(13)20/h6-8,10-11H,9,19-20H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.128 kcal/mol

Physical Properties
Molecular Weight: 298.434 g/mol	logS: -2.64486	SlogP: 2.88219	Reactive groups: 0

Topological Properties
Globularity: 0.136976	Sterimol/B1: 2.07162	Sterimol/B2: 3.36394	Sterimol/B3: 4.68677
Sterimol/B4: 8.55508	Sterimol/L: 14.3869

Surface and Volume Properties
Accessible surface: 558.192	Positive charged surface: 461.881	Negative charged surface: 96.3114	Volume: 317.75
Hydrophobic surface: 468.116	Hydrophilic surface: 90.076

Pharmacophoric Properties
Hydrogen bond donors: 2	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.