MMsINC Database Search


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MMsINC code: MMs00283967

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C(NCCc1ccccc1)c1cc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C24H20N2O/c27-24(25-16-15-18-9-3-1-4-10-18)21-17-23(19-11-5-2-6-12-19)26-22-14-8-7-13-20(21)22/h1-14,17H,15-16H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.467 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -6.3441	SlogP: 4.87427	Reactive groups: 0

Topological Properties
Globularity: 0.0302975	Sterimol/B1: 3.60254	Sterimol/B2: 3.67062	Sterimol/B3: 6.40128
Sterimol/B4: 7.3997	Sterimol/L: 18.2259

Surface and Volume Properties
Accessible surface: 656.491	Positive charged surface: 354.43	Negative charged surface: 289.869	Volume: 357.375
Hydrophobic surface: 601.94	Hydrophilic surface: 54.551

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.