MMsINC Database Search


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MMsINC code: MMs02275058

Type: Neutral
Formula: C₂₄H₂₆NO₄+

SMILES:

O(C(C)C)c1cc2c(cc1OC)c1[n+](cc3cc(OC)c(OC)cc3c1cc2)C

InChI:

InChI=1/C24H26NO4/c1-14(2)29-23-9-15-7-8-17-18-11-21(27-5)20(26-4)10-16(18)13-25(3)24(17)19(15)12-22(23)28-6/h7-14H,1-6H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=179.046 kcal/mol

Physical Properties
Molecular Weight: 392.475 g/mol	logS: -6.45474	SlogP: 5.1429	Reactive groups: 0

Topological Properties
Globularity: 0.0342775	Sterimol/B1: 2.83244	Sterimol/B2: 3.99579	Sterimol/B3: 5.11437
Sterimol/B4: 6.86655	Sterimol/L: 18.9463

Surface and Volume Properties
Accessible surface: 679.299	Positive charged surface: 522.531	Negative charged surface: 131.841	Volume: 389
Hydrophobic surface: 573.16	Hydrophilic surface: 106.139

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 1
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.