MMsINC Database Search


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MMsINC code: MMs03309578

Type: Neutral
Formula: C₂₃H₂₈N₂

SMILES:

N(=C\C=C/1\N(c2c(cccc2)C\1(C)C)C)/c1ccccc1C(C)(C)C

InChI:

InChI=1/C23H28N2/c1-22(2,3)17-11-7-9-13-19(17)24-16-15-21-23(4,5)18-12-8-10-14-20(18)25(21)6/h7-16H,1-6H3/b21-15-,24-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.853 kcal/mol

Physical Properties
Molecular Weight: 332.491 g/mol	logS: -6.12838	SlogP: 5.9979	Reactive groups: 0

Topological Properties
Globularity: 0.0691287	Sterimol/B1: 2.1759	Sterimol/B2: 2.7422	Sterimol/B3: 5.61647
Sterimol/B4: 7.26434	Sterimol/L: 16.7142

Surface and Volume Properties
Accessible surface: 613.905	Positive charged surface: 393.502	Negative charged surface: 220.403	Volume: 365.125
Hydrophobic surface: 523.205	Hydrophilic surface: 90.7

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.