MMsINC Database Search


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MMsINC code: MMs00650799

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1cc(ccc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1cc(ccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.358 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.86289	SlogP: 5.47112	Reactive groups: 0

Topological Properties
Globularity: 0.0231452	Sterimol/B1: 2.34767	Sterimol/B2: 4.45405	Sterimol/B3: 4.85985
Sterimol/B4: 7.96981	Sterimol/L: 19.1281

Surface and Volume Properties
Accessible surface: 646.325	Positive charged surface: 386.343	Negative charged surface: 250.342	Volume: 362.75
Hydrophobic surface: 589.593	Hydrophilic surface: 56.732

Pharmacophoric Properties
Hydrogen bond donors: 1	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.