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MMsINC code: MMs00830446

Type: Neutral
Formula: C₂₃H₂₆N₂O

SMILES:

O=C(N(CCC)CCC)c1cc(nc2c1cccc2)-c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4501 kcal/mol

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

Topological Properties
Globularity: 0.170874	Sterimol/B1: 2.30909	Sterimol/B2: 5.28477	Sterimol/B3: 7.12219
Sterimol/B4: 8.05165	Sterimol/L: 15.6377

Surface and Volume Properties
Accessible surface: 639.789	Positive charged surface: 396.087	Negative charged surface: 237.052	Volume: 366.625
Hydrophobic surface: 556.503	Hydrophilic surface: 83.286

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.