MMsINC Database Search


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MMsINC code: MMs00465431

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C1n2c3c(cccc3c3c2cccc3)C(NCc2ccccc2)=C1CC

InChI:

InChI=1/C24H20N2O/c1-2-17-22(25-15-16-9-4-3-5-10-16)20-13-8-12-19-18-11-6-7-14-21(18)26(23(19)20)24(17)27/h3-14,25H,2,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.299 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -6.56356	SlogP: 5.6256	Reactive groups: 0

Topological Properties
Globularity: 0.0337648	Sterimol/B1: 2.12617	Sterimol/B2: 2.4382	Sterimol/B3: 4.59543
Sterimol/B4: 9.11621	Sterimol/L: 18.098

Surface and Volume Properties
Accessible surface: 603.006	Positive charged surface: 323.097	Negative charged surface: 268.061	Volume: 353.375
Hydrophobic surface: 544.16	Hydrophilic surface: 58.846

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.