MMsINC Database Search


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MMsINC code: MMs00873714

Type: Neutral
Formula: C₂₅H₂₄N₂O₃

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(=O)N1CCN(CC1)c1ccccc1OC

InChI:

InChI=1/C25H24N2O3/c1-29-23-13-7-4-10-20(23)26-14-16-27(17-15-26)25(28)24-18-8-2-5-11-21(18)30-22-12-6-3-9-19(22)24/h2-13,24H,14-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=195.055 kcal/mol

Physical Properties
Molecular Weight: 400.478 g/mol	logS: -5.59887	SlogP: 4.2816	Reactive groups: 0

Topological Properties
Globularity: 0.0540374	Sterimol/B1: 3.29066	Sterimol/B2: 3.858	Sterimol/B3: 4.16135
Sterimol/B4: 8.33488	Sterimol/L: 16.8775

Surface and Volume Properties
Accessible surface: 664.806	Positive charged surface: 436.114	Negative charged surface: 228.692	Volume: 388.875
Hydrophobic surface: 627.283	Hydrophilic surface: 37.523

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.