MMsINC Database Search


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MMsINC code: MMs01043458

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O1CCN(CC1)c1c2cc(OC)c(OC)cc2ncc1C(=O)c1cc(C)c(cc1)C

InChI:

InChI=1/C24H26N2O4/c1-15-5-6-17(11-16(15)2)24(27)19-14-25-20-13-22(29-4)21(28-3)12-18(20)23(19)26-7-9-30-10-8-26/h5-6,11-14H,7-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=237.384 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -5.31372	SlogP: 3.93644	Reactive groups: 0

Topological Properties
Globularity: 0.114388	Sterimol/B1: 2.51319	Sterimol/B2: 3.28218	Sterimol/B3: 6.27512
Sterimol/B4: 7.55145	Sterimol/L: 17.1848

Surface and Volume Properties
Accessible surface: 655.96	Positive charged surface: 494.52	Negative charged surface: 158.243	Volume: 391.375
Hydrophobic surface: 578.655	Hydrophilic surface: 77.305

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.