MMsINC Database Search


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MMsINC code: MMs02318255

Type: Neutral
Formula: C₁₇H₁₆N₂

SMILES:

[nH]1cc(c2c1cccc2)C1N(c2c(C1)cccc2)C

InChI:

InChI=1/C17H16N2/c1-19-16-9-5-2-6-12(16)10-17(19)14-11-18-15-8-4-3-7-13(14)15/h2-9,11,17-18H,10H2,1H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.783 kcal/mol

Physical Properties
Molecular Weight: 248.329 g/mol	logS: -3.55396	SlogP: 3.99697	Reactive groups: 0

Topological Properties
Globularity: 0.164411	Sterimol/B1: 2.11323	Sterimol/B2: 2.12818	Sterimol/B3: 5.71282
Sterimol/B4: 6.21533	Sterimol/L: 13.9523

Surface and Volume Properties
Accessible surface: 475.659	Positive charged surface: 300.71	Negative charged surface: 170.727	Volume: 257
Hydrophobic surface: 429.897	Hydrophilic surface: 45.762

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.