MMsINC Database Search


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MMsINC code: MMs00872356

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

OC1(c2c(N(CCc3ccccc3)C1=O)cccc2)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C24H20N2O2/c27-23-24(28,20-16-25-21-12-6-4-10-18(20)21)19-11-5-7-13-22(19)26(23)15-14-17-8-2-1-3-9-17/h1-13,16,25,28H,14-15H2/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7478 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.28801	SlogP: 4.30457	Reactive groups: 0

Topological Properties
Globularity: 0.167157	Sterimol/B1: 3.17379	Sterimol/B2: 4.35379	Sterimol/B3: 5.22655
Sterimol/B4: 7.32541	Sterimol/L: 16.3693

Surface and Volume Properties
Accessible surface: 618.785	Positive charged surface: 332.871	Negative charged surface: 283.599	Volume: 360.625
Hydrophobic surface: 515.06	Hydrophilic surface: 103.725

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.