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MMsINC code: MMs02665031

Type: Neutral
Formula: C₂₃H₂₆N₂O

SMILES:

O=C(N(CCC)CCC)c1cc(nc2c1cccc2)-c1cc(ccc1)C

InChI:

InChI=1/C23H26N2O/c1-4-13-25(14-5-2)23(26)20-16-22(18-10-8-9-17(3)15-18)24-21-12-7-6-11-19(20)21/h6-12,15-16H,4-5,13-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9883 kcal/mol

Physical Properties
Molecular Weight: 346.474 g/mol	logS: -5.94062	SlogP: 5.47242	Reactive groups: 0

Topological Properties
Globularity: 0.164576	Sterimol/B1: 2.31235	Sterimol/B2: 5.33874	Sterimol/B3: 7.14572
Sterimol/B4: 7.70419	Sterimol/L: 16.0054

Surface and Volume Properties
Accessible surface: 642.172	Positive charged surface: 395.866	Negative charged surface: 239.115	Volume: 370.25
Hydrophobic surface: 560.731	Hydrophilic surface: 81.441

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.