MMsINC Database Search


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MMsINC code: MMs00897168

Type: Neutral
Formula: C₂₃H₂₀N₂

SMILES:

n1c2cc(ccc2nc(c1-c1ccc(cc1)C)-c1ccc(cc1)C)C

InChI:

InChI=1/C23H20N2/c1-15-4-9-18(10-5-15)22-23(19-11-6-16(2)7-12-19)25-21-14-17(3)8-13-20(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)=130.129 kcal/mol

Physical Properties
Molecular Weight: 324.427 g/mol	logS: -6.8962	SlogP: 5.88906	Reactive groups: 0

Topological Properties
Globularity: 0.0420941	Sterimol/B1: 2.5571	Sterimol/B2: 2.80537	Sterimol/B3: 3.43759
Sterimol/B4: 9.31034	Sterimol/L: 15.7123

Surface and Volume Properties
Accessible surface: 600.156	Positive charged surface: 365.61	Negative charged surface: 230.122	Volume: 337.625
Hydrophobic surface: 561.491	Hydrophilic surface: 38.665

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.