MMsINC Database Search


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MMsINC code: MMs00804814

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

o1c2c(nc1/C(=C/c1ccc(cc1)C(C)C)/C(=O)c1cccnc1)cccc2

InChI:

InChI=1/C24H20N2O2/c1-16(2)18-11-9-17(10-12-18)14-20(23(27)19-6-5-13-25-15-19)24-26-21-7-3-4-8-22(21)28-24/h3-16H,1-2H3/b20-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.361 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.44905	SlogP: 5.7697	Reactive groups: 1

Topological Properties
Globularity: 0.0480685	Sterimol/B1: 2.22727	Sterimol/B2: 4.50003	Sterimol/B3: 5.2905
Sterimol/B4: 7.15616	Sterimol/L: 17.9549

Surface and Volume Properties
Accessible surface: 647.236	Positive charged surface: 393.692	Negative charged surface: 253.544	Volume: 366.5
Hydrophobic surface: 537.802	Hydrophilic surface: 109.434

Pharmacophoric Properties
Hydrogen bond donors: 0	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.