MMsINC Database Search


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MMsINC code: MMs03409763

Type: Neutral
Formula: C₁₄H₂₀N₄

SMILES:

n1c(N)c(cnc1CCC)CN1C=CC=CC1C

InChI:

InChI=1/C14H20N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9,11H,3,6,10H2,1-2H3,(H2,15,16,17)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.0604 kcal/mol

Physical Properties
Molecular Weight: 244.342 g/mol	logS: -2.15505	SlogP: 2.55167	Reactive groups: 0

Topological Properties
Globularity: 0.112041	Sterimol/B1: 3.54397	Sterimol/B2: 4.1095	Sterimol/B3: 4.23058
Sterimol/B4: 4.64828	Sterimol/L: 14.9603

Surface and Volume Properties
Accessible surface: 497.161	Positive charged surface: 370.802	Negative charged surface: 126.359	Volume: 260.375
Hydrophobic surface: 363.643	Hydrophilic surface: 133.518

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.