MMsINC Database Search


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MMsINC code: MMs00148290

Type: Neutral
Formula: C₂₅H₂₂N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1cc(C)c(cc1)C

InChI:

InChI=1/C25H22N2O2/c1-16-8-11-19(14-17(16)2)26-25(28)22-15-24(18-9-12-20(29-3)13-10-18)27-23-7-5-4-6-21(22)23/h4-15H,1-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.707 kcal/mol

Physical Properties
Molecular Weight: 382.463 g/mol	logS: -7.33681	SlogP: 5.77954	Reactive groups: 0

Topological Properties
Globularity: 0.0240789	Sterimol/B1: 2.95846	Sterimol/B2: 3.67418	Sterimol/B3: 3.89489
Sterimol/B4: 10.4017	Sterimol/L: 17.8029

Surface and Volume Properties
Accessible surface: 678.485	Positive charged surface: 403.762	Negative charged surface: 264.493	Volume: 382.25
Hydrophobic surface: 620.897	Hydrophilic surface: 57.588

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.