MMsINC Database Search


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MMsINC code: MMs03301550

Type: Neutral
Formula: C₁₄H₁₆N₂

SMILES:

n1c2c(cccc2)c(cc1N1CCCC1)C

InChI:

InChI=1/C14H16N2/c1-11-10-14(16-8-4-5-9-16)15-13-7-3-2-6-12(11)13/h2-3,6-7,10H,4-5,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.4659 kcal/mol

Physical Properties
Molecular Weight: 212.296 g/mol	logS: -3.23839	SlogP: 3.14342	Reactive groups: 0

Topological Properties
Globularity: 0.0482002	Sterimol/B1: 2.25349	Sterimol/B2: 3.05916	Sterimol/B3: 3.17834
Sterimol/B4: 7.47478	Sterimol/L: 12.8049

Surface and Volume Properties
Accessible surface: 438.788	Positive charged surface: 298.337	Negative charged surface: 135.141	Volume: 223.75
Hydrophobic surface: 403.477	Hydrophilic surface: 35.311

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.