MMsINC Database Search


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MMsINC code: MMs02464415

Type: Neutral
Formula: C₂₃H₂₆N₂O₂

SMILES:

O1C2C(N3CN(C4C(OC3)Cc3c(C4)cccc3)C1)Cc1c(C2)cccc1

InChI:

InChI=1/C23H26N2O2/c1-3-7-18-11-22-20(9-16(18)5-1)24-13-25(15-26-22)21-10-17-6-2-4-8-19(17)12-23(21)27-14-24/h1-8,20-23H,9-15H2/t20-,21+,22-,23+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.218 kcal/mol

Physical Properties
Molecular Weight: 362.473 g/mol	logS: -3.11226	SlogP: 2.59518	Reactive groups: 0

Topological Properties
Globularity: 0.233323	Sterimol/B1: 3.10884	Sterimol/B2: 3.16015	Sterimol/B3: 5.17234
Sterimol/B4: 6.96252	Sterimol/L: 14.9268

Surface and Volume Properties
Accessible surface: 582.473	Positive charged surface: 403.997	Negative charged surface: 178.476	Volume: 350.25
Hydrophobic surface: 536.072	Hydrophilic surface: 46.401

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 4

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.