MMsINC Database Search


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MMsINC code: MMs02816154

Type: Neutral
Formula: C₁₉H₁₈N₂

SMILES:

n1cc2c(cc1C)c(c1n(c3c(c1c2C)cccc3)C)C

InChI:

InChI=1/C19H18N2/c1-11-9-15-13(3)19-18(12(2)16(15)10-20-11)14-7-5-6-8-17(14)21(19)4/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.978 kcal/mol

Physical Properties
Molecular Weight: 274.367 g/mol	logS: -4.98299	SlogP: 5.16416	Reactive groups: 0

Topological Properties
Globularity: 0.0152034	Sterimol/B1: 2.5099	Sterimol/B2: 2.51172	Sterimol/B3: 4.93013
Sterimol/B4: 5.0645	Sterimol/L: 15.2302

Surface and Volume Properties
Accessible surface: 491.916	Positive charged surface: 297.364	Negative charged surface: 173.029	Volume: 284.375
Hydrophobic surface: 480.101	Hydrophilic surface: 11.815

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.