MMsINC Database Search


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MMsINC code: MMs01764692

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C)c1ccccc1N(C(=O)c1ccccc1)CC1=CC(=O)Nc2c1cccc2

InChI:

InChI=1/C24H20N2O3/c1-29-22-14-8-7-13-21(22)26(24(28)17-9-3-2-4-10-17)16-18-15-23(27)25-20-12-6-5-11-19(18)20/h2-15H,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.58 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -5.9335	SlogP: 4.3777	Reactive groups: 0

Topological Properties
Globularity: 0.218272	Sterimol/B1: 2.1383	Sterimol/B2: 4.50795	Sterimol/B3: 6.22476
Sterimol/B4: 7.11071	Sterimol/L: 14.4117

Surface and Volume Properties
Accessible surface: 567.532	Positive charged surface: 349.457	Negative charged surface: 218.075	Volume: 366.375
Hydrophobic surface: 467.918	Hydrophilic surface: 99.614

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.