MMsINC Database Search


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MMsINC code: MMs00283442

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C(=O)c1ccccc1)c1ccccc1-c1c(n(nc1C)-c1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.626 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.70601	SlogP: 5.37534	Reactive groups: 0

Topological Properties
Globularity: 0.203319	Sterimol/B1: 2.46633	Sterimol/B2: 6.18953	Sterimol/B3: 6.90445
Sterimol/B4: 7.86893	Sterimol/L: 13.8857

Surface and Volume Properties
Accessible surface: 628.907	Positive charged surface: 346.214	Negative charged surface: 282.694	Volume: 367.25
Hydrophobic surface: 601.642	Hydrophilic surface: 27.265

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.