MMsINC Database Search


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MMsINC code: MMs03212379

Type: Neutral
Formula: C₁₄H₁₈N₂

SMILES:

N(C)(C)c1c2c(ccc1)c(N(C)C)ccc2

InChI:

InChI=1/C14H18N2/c1-15(2)13-9-5-8-12-11(13)7-6-10-14(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)=154.723 kcal/mol

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

Topological Properties
Globularity: 0.113171	Sterimol/B1: 2.38456	Sterimol/B2: 4.66465	Sterimol/B3: 4.77079
Sterimol/B4: 5.20944	Sterimol/L: 12.4315

Surface and Volume Properties
Accessible surface: 448.492	Positive charged surface: 359.161	Negative charged surface: 81.7294	Volume: 235.375
Hydrophobic surface: 448.11	Hydrophilic surface: 0.38200000000001

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.