MMsINC Database Search


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MMsINC code: MMs02367302

Type: Neutral
Formula: C₁₄H₁₅N₇

SMILES:

n1c(N)c2nc(cnc2nc1N)CN(C)c1ccccc1

InChI:

InChI=1/C14H15N7/c1-21(10-5-3-2-4-6-10)8-9-7-17-13-11(18-9)12(15)19-14(16)20-13/h2-7H,8H2,1H3,(H4,15,16,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1122 kcal/mol

Physical Properties
Molecular Weight: 281.323 g/mol	logS: -3.02699	SlogP: 1.487	Reactive groups: 0

Topological Properties
Globularity: 0.0968925	Sterimol/B1: 2.22863	Sterimol/B2: 3.61479	Sterimol/B3: 3.99701
Sterimol/B4: 6.7398	Sterimol/L: 14.7423

Surface and Volume Properties
Accessible surface: 505.56	Positive charged surface: 361.047	Negative charged surface: 144.513	Volume: 264.375
Hydrophobic surface: 275.678	Hydrophilic surface: 229.882

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.