MMsINC Database Search


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MMsINC code: MMs00655450

Type: Neutral
Formula: C₂₇H₂₄N₂O₂

SMILES:

O(Cc1ccccc1C(=O)Nc1ccc(cc1)Cc1ccncc1)c1ccc(cc1)C

InChI:

InChI=1/C27H24N2O2/c1-20-6-12-25(13-7-20)31-19-23-4-2-3-5-26(23)27(30)29-24-10-8-21(9-11-24)18-22-14-16-28-17-15-22/h2-17H,18-19H2,1H3,(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.358 kcal/mol

Physical Properties
Molecular Weight: 408.501 g/mol	logS: -6.50531	SlogP: 6.07849	Reactive groups: 0

Topological Properties
Globularity: 0.0335341	Sterimol/B1: 2.08418	Sterimol/B2: 3.49207	Sterimol/B3: 4.49988
Sterimol/B4: 12.0838	Sterimol/L: 19.8411

Surface and Volume Properties
Accessible surface: 728.219	Positive charged surface: 454.472	Negative charged surface: 273.746	Volume: 414.875
Hydrophobic surface: 683.867	Hydrophilic surface: 44.352

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.