MMsINC Database Search


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MMsINC code: MMs00897153

Type: Neutral
Formula: C₂₃H₂₀N₂

SMILES:

n1c2c(nc(c1-c1ccc(cc1)C)-c1ccc(cc1)C)cccc2C

InChI:

InChI=1/C23H20N2/c1-15-7-11-18(12-8-15)22-23(19-13-9-16(2)10-14-19)25-21-17(3)5-4-6-20(21)24-22/h4-14H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.633 kcal/mol

Physical Properties
Molecular Weight: 324.427 g/mol	logS: -6.58275	SlogP: 5.88906	Reactive groups: 0

Topological Properties
Globularity: 0.0495609	Sterimol/B1: 2.55892	Sterimol/B2: 2.82319	Sterimol/B3: 3.40057
Sterimol/B4: 9.23641	Sterimol/L: 14.8496

Surface and Volume Properties
Accessible surface: 592.41	Positive charged surface: 364.244	Negative charged surface: 223.741	Volume: 337
Hydrophobic surface: 558.284	Hydrophilic surface: 34.126

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.