MMsINC Database Search


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MMsINC code: MMs00390075

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

o1c2cc(ccc2nc1-c1cc(NC(=O)c2ccc(cc2)C(C)C)c(cc1)C)C

InChI:

InChI=1/C25H24N2O2/c1-15(2)18-8-10-19(11-9-18)24(28)26-22-14-20(7-6-17(22)4)25-27-21-12-5-16(3)13-23(21)29-25/h5-15H,1-4H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.538 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -8.80929	SlogP: 6.48734	Reactive groups: 0

Topological Properties
Globularity: 0.0173485	Sterimol/B1: 3.28711	Sterimol/B2: 3.35204	Sterimol/B3: 3.43391
Sterimol/B4: 8.70566	Sterimol/L: 21.2374

Surface and Volume Properties
Accessible surface: 708.056	Positive charged surface: 425.221	Negative charged surface: 282.835	Volume: 387.625
Hydrophobic surface: 600.284	Hydrophilic surface: 107.772

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.