MMsINC Database Search


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MMsINC code: MMs00194040

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1ccccc1C

InChI:

InChI=1/C24H20N2O2/c1-16-7-3-5-9-21(16)26-24(27)20-15-23(17-11-13-18(28-2)14-12-17)25-22-10-6-4-8-19(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)=131.013 kcal/mol

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

Topological Properties
Globularity: 0.0223295	Sterimol/B1: 2.24133	Sterimol/B2: 2.3444	Sterimol/B3: 4.13202
Sterimol/B4: 11.3477	Sterimol/L: 17.0012

Surface and Volume Properties
Accessible surface: 640.463	Positive charged surface: 375.387	Negative charged surface: 255.356	Volume: 363.375
Hydrophobic surface: 591.144	Hydrophilic surface: 49.319

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.