MMsINC Database Search


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MMsINC code: MMs00930204

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O(C)c1cc(ccc1)C(c1c2c([nH]c1)cccc2)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C24H20N2O/c1-27-17-8-6-7-16(13-17)24(20-14-25-22-11-4-2-9-18(20)22)21-15-26-23-12-5-3-10-19(21)23/h2-15,24-26H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.608 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -5.46045	SlogP: 5.838	Reactive groups: 0

Topological Properties
Globularity: 0.324021	Sterimol/B1: 2.96057	Sterimol/B2: 5.59628	Sterimol/B3: 6.82
Sterimol/B4: 6.96067	Sterimol/L: 12.9915

Surface and Volume Properties
Accessible surface: 617.897	Positive charged surface: 364.2	Negative charged surface: 243.688	Volume: 352.5
Hydrophobic surface: 528.895	Hydrophilic surface: 89.002

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.