MMsINC Database Search


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MMsINC code: MMs03303375

Type: Neutral
Formula: C₂₆H₂₆N₂

SMILES:

n1c2c(n(Cc3c(C)c(cc(C)c3C)C)c1\C=C\c1ccccc1)cccc2

InChI:

InChI=1/C26H26N2/c1-18-16-19(2)21(4)23(20(18)3)17-28-25-13-9-8-12-24(25)27-26(28)15-14-22-10-6-5-7-11-22/h5-16H,17H2,1-4H3/b15-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.003 kcal/mol

Physical Properties
Molecular Weight: 366.508 g/mol	logS: -7.44127	SlogP: 6.75508	Reactive groups: 0

Topological Properties
Globularity: 0.102182	Sterimol/B1: 2.47065	Sterimol/B2: 2.49527	Sterimol/B3: 5.45634
Sterimol/B4: 10.2812	Sterimol/L: 15.8346

Surface and Volume Properties
Accessible surface: 641.675	Positive charged surface: 361.707	Negative charged surface: 279.968	Volume: 386.125
Hydrophobic surface: 612.152	Hydrophilic surface: 29.523

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.