MMsINC Database Search


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MMsINC code: MMs01906408

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1cc(N2C(=Nc3c(cccc3)C2=O)\C=C\c2ccccc2C)ccc1

InChI:

InChI=1/C24H20N2O2/c1-17-8-3-4-9-18(17)14-15-23-25-22-13-6-5-12-21(22)24(27)26(23)19-10-7-11-20(16-19)28-2/h3-16H,1-2H3/b15-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.302 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.70734	SlogP: 5.40742	Reactive groups: 0

Topological Properties
Globularity: 0.0783628	Sterimol/B1: 2.2495	Sterimol/B2: 3.51611	Sterimol/B3: 4.61493
Sterimol/B4: 12.179	Sterimol/L: 16.1145

Surface and Volume Properties
Accessible surface: 647.134	Positive charged surface: 387.372	Negative charged surface: 259.762	Volume: 365.625
Hydrophobic surface: 596.383	Hydrophilic surface: 50.751

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.