MMsINC Database Search


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MMsINC code: MMs02613754

Type: Neutral
Formula: C₁₇H₁₆N₂

SMILES:

n1n(cc(c1)-c1ccc(cc1)C)-c1ccc(cc1)C

InChI:

InChI=1/C17H16N2/c1-13-3-7-15(8-4-13)16-11-18-19(12-16)17-9-5-14(2)6-10-17/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4617 kcal/mol

Physical Properties
Molecular Weight: 248.329 g/mol	logS: -4.91301	SlogP: 4.15614	Reactive groups: 0

Topological Properties
Globularity: 0.00460051	Sterimol/B1: 2.51221	Sterimol/B2: 2.51393	Sterimol/B3: 3.00607
Sterimol/B4: 5.47093	Sterimol/L: 17.2872

Surface and Volume Properties
Accessible surface: 508.389	Positive charged surface: 280.583	Negative charged surface: 227.806	Volume: 263.625
Hydrophobic surface: 479.386	Hydrophilic surface: 29.003

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.