MMsINC Database Search


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MMsINC code: MMs03488877

Type: Neutral
Formula: C₁₅H₂₀N₄

SMILES:

n1c2c(cccc2)c(\N=C(\N(C)C)/C)cc1N(C)C

InChI:

InChI=1/C15H20N4/c1-11(18(2)3)16-14-10-15(19(4)5)17-13-9-7-6-8-12(13)14/h6-10H,1-5H3/b16-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.089 kcal/mol

Physical Properties
Molecular Weight: 256.353 g/mol	logS: -2.41032	SlogP: 2.9123	Reactive groups: 0

Topological Properties
Globularity: 0.146678	Sterimol/B1: 2.52664	Sterimol/B2: 3.08968	Sterimol/B3: 5.08314
Sterimol/B4: 7.85557	Sterimol/L: 12.5097

Surface and Volume Properties
Accessible surface: 492.231	Positive charged surface: 383.25	Negative charged surface: 105.999	Volume: 267.25
Hydrophobic surface: 463.414	Hydrophilic surface: 28.817

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.