MMsINC Database Search


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MMsINC code: MMs00650952

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1cc(ccc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.791 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.54944	SlogP: 5.47112	Reactive groups: 0

Topological Properties
Globularity: 0.0191623	Sterimol/B1: 2.15512	Sterimol/B2: 2.23954	Sterimol/B3: 4.05973
Sterimol/B4: 10.7901	Sterimol/L: 18.7887

Surface and Volume Properties
Accessible surface: 640.011	Positive charged surface: 377.806	Negative charged surface: 252.509	Volume: 363.5
Hydrophobic surface: 591.496	Hydrophilic surface: 48.515

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.