MMsINC Database Search


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MMsINC code: MMs01179124

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O1c2c(CC1)cccc2C(=O)N(Cc1nc2c(cc1)cccc2)CC(C)C

InChI:

InChI=1/C23H24N2O2/c1-16(2)14-25(15-19-11-10-17-6-3-4-9-21(17)24-19)23(26)20-8-5-7-18-12-13-27-22(18)20/h3-11,16H,12-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.751 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -4.89938	SlogP: 4.73447	Reactive groups: 0

Topological Properties
Globularity: 0.167225	Sterimol/B1: 2.85613	Sterimol/B2: 3.14872	Sterimol/B3: 5.19301
Sterimol/B4: 9.98506	Sterimol/L: 14.981

Surface and Volume Properties
Accessible surface: 627.413	Positive charged surface: 401.569	Negative charged surface: 220.59	Volume: 364.375
Hydrophobic surface: 547.166	Hydrophilic surface: 80.247

Pharmacophoric Properties
Hydrogen bond donors: 0	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.