MMsINC Database Search


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MMsINC code: MMs00689464

Type: Neutral
Formula: C₂₅H₂₆N₂O₂

SMILES:

O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)c1c(C)c(C)c(C)c(C)c1C

InChI:

InChI=1/C25H26N2O2/c1-15-16(2)18(4)23(19(5)17(15)3)25(29)27-22-13-11-21(12-14-22)26-24(28)20-9-7-6-8-10-20/h6-14H,1-5H3,(H,26,28)(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.571 kcal/mol

Physical Properties
Molecular Weight: 386.495 g/mol	logS: -7.69446	SlogP: 5.7333	Reactive groups: 0

Topological Properties
Globularity: 0.0207649	Sterimol/B1: 3.37977	Sterimol/B2: 3.52866	Sterimol/B3: 4.75591
Sterimol/B4: 4.85296	Sterimol/L: 21.5322

Surface and Volume Properties
Accessible surface: 692.774	Positive charged surface: 393.619	Negative charged surface: 299.154	Volume: 390.25
Hydrophobic surface: 623.59	Hydrophilic surface: 69.184

Pharmacophoric Properties
Hydrogen bond donors: 2	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.