MMsINC Database Search


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MMsINC code: MMs01178450

Type: Neutral
Formula: C₂₆H₂₆N₂O

SMILES:

O=C(N(Cc1ccccc1)CCCc1ccccc1)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C26H26N2O/c29-26(18-23-19-27-25-16-8-7-15-24(23)25)28(20-22-12-5-2-6-13-22)17-9-14-21-10-3-1-4-11-21/h1-8,10-13,15-16,19,27H,9,14,17-18,20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1105 kcal/mol

Physical Properties
Molecular Weight: 382.507 g/mol	logS: -5.57543	SlogP: 5.63834	Reactive groups: 0

Topological Properties
Globularity: 0.079111	Sterimol/B1: 2.93664	Sterimol/B2: 4.06693	Sterimol/B3: 5.02382
Sterimol/B4: 10.6113	Sterimol/L: 15.5842

Surface and Volume Properties
Accessible surface: 695.544	Positive charged surface: 406.613	Negative charged surface: 286.03	Volume: 398.625
Hydrophobic surface: 623.035	Hydrophilic surface: 72.509

Pharmacophoric Properties
Hydrogen bond donors: 1	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.