MMsINC Database Search


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MMsINC code: MMs02788918

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

o1c2cc(C)c(cc2nc1-c1cc(NC(=O)c2cc(OC)ccc2)c(cc1)C)C

InChI:

InChI=1/C24H22N2O3/c1-14-8-9-18(24-26-21-10-15(2)16(3)11-22(21)29-24)13-20(14)25-23(27)17-6-5-7-19(12-17)28-4/h5-13H,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.921 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -7.82923	SlogP: 5.68096	Reactive groups: 0

Topological Properties
Globularity: 0.0101802	Sterimol/B1: 2.37308	Sterimol/B2: 2.42005	Sterimol/B3: 2.96574
Sterimol/B4: 11.0858	Sterimol/L: 19.0201

Surface and Volume Properties
Accessible surface: 692.42	Positive charged surface: 429.023	Negative charged surface: 263.397	Volume: 377.125
Hydrophobic surface: 613.957	Hydrophilic surface: 78.463

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.