MMsINC Database Search


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MMsINC code: MMs00767749

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1cc(ccc1O)C(c1c2c([nH]c1)cccc2)c1c2c([nH]c1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.308 kcal/mol

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

Topological Properties
Globularity: 0.469565	Sterimol/B1: 2.17401	Sterimol/B2: 2.52999	Sterimol/B3: 7.19492
Sterimol/B4: 10.2986	Sterimol/L: 13.8975

Surface and Volume Properties
Accessible surface: 635.404	Positive charged surface: 381.408	Negative charged surface: 244.465	Volume: 357.25
Hydrophobic surface: 498.464	Hydrophilic surface: 136.94

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.