MMsINC Database Search


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MMsINC code: MMs00257387

Type: Neutral
Formula: C₂₆H₂₆N₂

SMILES:

n1c2c(c3c(CCC3)c1-c1ccc(N(CC)CC)cc1)c1c(cc2)cccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.292 kcal/mol

Physical Properties
Molecular Weight: 366.508 g/mol	logS: -7.87588	SlogP: 6.38984	Reactive groups: 0

Topological Properties
Globularity: 0.0235101	Sterimol/B1: 2.80116	Sterimol/B2: 3.0465	Sterimol/B3: 3.35174
Sterimol/B4: 8.12536	Sterimol/L: 18.3226

Surface and Volume Properties
Accessible surface: 659.672	Positive charged surface: 411.91	Negative charged surface: 227.144	Volume: 384.625
Hydrophobic surface: 581.741	Hydrophilic surface: 77.931

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: 0

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Ions/Tautomers related molecules: no related molecules available.