MMsINC Database Search


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MMsINC code: MMs00640143

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(CC)c1cc(ccc1)-c1nc2c(cccc2)c(c1)C(=O)N1CCC(CC1)C

InChI:

InChI=1/C24H26N2O2/c1-3-28-19-8-6-7-18(15-19)23-16-21(20-9-4-5-10-22(20)25-23)24(27)26-13-11-17(2)12-14-26/h4-10,15-17H,3,11-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5319 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -6.0557	SlogP: 5.1726	Reactive groups: 0

Topological Properties
Globularity: 0.0703567	Sterimol/B1: 3.10599	Sterimol/B2: 4.16815	Sterimol/B3: 5.00967
Sterimol/B4: 8.03616	Sterimol/L: 18.5104

Surface and Volume Properties
Accessible surface: 665.615	Positive charged surface: 433.296	Negative charged surface: 222.775	Volume: 380.375
Hydrophobic surface: 571.188	Hydrophilic surface: 94.427

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.