MMsINC Database Search


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MMsINC code: MMs00715351

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1nc(ccc1)C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H20N2O2/c1-17-6-4-11-23(25-17)26-24(27)20-14-12-18(13-15-20)16-28-22-10-5-8-19-7-2-3-9-21(19)22/h2-15H,16H2,1H3,(H,25,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.502 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.41754	SlogP: 5.64092	Reactive groups: 0

Topological Properties
Globularity: 0.0507252	Sterimol/B1: 2.21959	Sterimol/B2: 4.77655	Sterimol/B3: 5.10577
Sterimol/B4: 6.24961	Sterimol/L: 20.6546

Surface and Volume Properties
Accessible surface: 672.486	Positive charged surface: 380.188	Negative charged surface: 282.581	Volume: 365.375
Hydrophobic surface: 616.118	Hydrophilic surface: 56.368

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1

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Ions/Tautomers related molecules: no related molecules available.