MMsINC Database Search


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MMsINC code: MMs00352437

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1cc(C(c2c3c([nH]c2)cccc3)c2c3c([nH]c2)cccc3)c(O)cc1

InChI:

InChI=1/C24H20N2O2/c1-28-15-10-11-23(27)18(12-15)24(19-13-25-21-8-4-2-6-16(19)21)20-14-26-22-9-5-3-7-17(20)22/h2-14,24-27H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.088 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.0985	SlogP: 5.5436	Reactive groups: 0

Topological Properties
Globularity: 0.303578	Sterimol/B1: 3.6166	Sterimol/B2: 5.46197	Sterimol/B3: 6.87737
Sterimol/B4: 6.90352	Sterimol/L: 13.2297

Surface and Volume Properties
Accessible surface: 629.599	Positive charged surface: 371.534	Negative charged surface: 247.318	Volume: 361.125
Hydrophobic surface: 506.965	Hydrophilic surface: 122.634

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.