MMsINC Database Search


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MMsINC code: MMs01955396

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O(c1cc(cc(C)c1C)C)c1nc(nc2c1cccc2)-c1cccc(OC)c1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.366 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -7.71079	SlogP: 5.72856	Reactive groups: 0

Topological Properties
Globularity: 0.0474574	Sterimol/B1: 2.11167	Sterimol/B2: 3.83179	Sterimol/B3: 4.34203
Sterimol/B4: 10.8295	Sterimol/L: 13.9385

Surface and Volume Properties
Accessible surface: 626.613	Positive charged surface: 403.787	Negative charged surface: 213.086	Volume: 374.5
Hydrophobic surface: 577.341	Hydrophilic surface: 49.272

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.