MMsINC Database Search


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MMsINC code: MMs00003149

Type: Neutral
Formula: C₁₄H₁₈N₂

SMILES:

N(C)(C)c1c2c(ccc1)cccc2N(C)C

InChI:

InChI=1/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=171.56 kcal/mol

Physical Properties
Molecular Weight: 214.312 g/mol	logS: -3.11758	SlogP: 2.9718	Reactive groups: 0

Topological Properties
Globularity: 0.233885	Sterimol/B1: 2.39511	Sterimol/B2: 2.57356	Sterimol/B3: 4.76986
Sterimol/B4: 7.27829	Sterimol/L: 9.67367

Surface and Volume Properties
Accessible surface: 428.245	Positive charged surface: 329.457	Negative charged surface: 89.8628	Volume: 234.125
Hydrophobic surface: 428.245	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	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.