MMsINC Database Search


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MMsINC code: MMs00995047

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3ccc(cc3)C(C)C)c(OC)cc1)cccc2

InChI:

InChI=1/C24H22N2O3/c1-15(2)16-8-10-17(11-9-16)23(27)25-20-14-18(12-13-21(20)28-3)24-26-19-6-4-5-7-22(19)29-24/h4-15H,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.391 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -8.22528	SlogP: 5.8791	Reactive groups: 0

Topological Properties
Globularity: 0.0197137	Sterimol/B1: 2.52035	Sterimol/B2: 4.18245	Sterimol/B3: 5.46678
Sterimol/B4: 7.81008	Sterimol/L: 20.389

Surface and Volume Properties
Accessible surface: 700.702	Positive charged surface: 444.647	Negative charged surface: 256.054	Volume: 377
Hydrophobic surface: 580.328	Hydrophilic surface: 120.374

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.