MMsINC Database Search


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MMsINC code: MMs01126883

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C(=O)c1ccccc1C)c1n(nc(c1)-c1ccccc1)-c1cc(ccc1)C

InChI:

InChI=1/C24H20N2O2/c1-17-9-8-13-20(15-17)26-23(16-22(25-26)19-11-4-3-5-12-19)28-24(27)21-14-7-6-10-18(21)2/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.372 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -7.30713	SlogP: 5.37534	Reactive groups: 0

Topological Properties
Globularity: 0.0327882	Sterimol/B1: 2.43134	Sterimol/B2: 2.47792	Sterimol/B3: 4.32955
Sterimol/B4: 12.3803	Sterimol/L: 16.8285

Surface and Volume Properties
Accessible surface: 656.201	Positive charged surface: 354.837	Negative charged surface: 301.364	Volume: 366.75
Hydrophobic surface: 624.647	Hydrophilic surface: 31.554

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.