MMsINC Database Search


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MMsINC code: MMs02561420

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O(C(=O)c1cnc2c(ccc3c2cccc3)c1Nc1cc(C)c(cc1)C)CC

InChI:

InChI=1/C24H22N2O2/c1-4-28-24(27)21-14-25-22-19-8-6-5-7-17(19)10-12-20(22)23(21)26-18-11-9-15(2)16(3)13-18/h5-14H,4H2,1-3H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.36 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -7.1284	SlogP: 5.92514	Reactive groups: 0

Topological Properties
Globularity: 0.106774	Sterimol/B1: 2.03965	Sterimol/B2: 3.95748	Sterimol/B3: 4.00358
Sterimol/B4: 11.5212	Sterimol/L: 15.7166

Surface and Volume Properties
Accessible surface: 655.25	Positive charged surface: 417.715	Negative charged surface: 223.645	Volume: 369.75
Hydrophobic surface: 581.642	Hydrophilic surface: 73.608

Pharmacophoric Properties
Hydrogen bond donors: 1	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.