MMsINC Database Search


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MMsINC code: MMs00819920

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1O)C(c1c2c([nH]c1C)cccc2)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C26H24N2O2/c1-15-24(18-8-4-6-10-20(18)27-15)26(17-12-13-23(30-3)22(29)14-17)25-16(2)28-21-11-7-5-9-19(21)25/h4-14,26-29H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.61 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -5.72528	SlogP: 6.16044	Reactive groups: 0

Topological Properties
Globularity: 0.481126	Sterimol/B1: 3.18377	Sterimol/B2: 5.21745	Sterimol/B3: 6.30448
Sterimol/B4: 7.6469	Sterimol/L: 12.9589

Surface and Volume Properties
Accessible surface: 637.061	Positive charged surface: 411.992	Negative charged surface: 222.847	Volume: 392.25
Hydrophobic surface: 528.292	Hydrophilic surface: 108.769

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.