MMsINC Database Search


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MMsINC code: MMs02754788

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O1c2cc(ccc2OC1)-c1nc(c(n1CC)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H20N2O2/c1-2-26-23(18-11-7-4-8-12-18)22(17-9-5-3-6-10-17)25-24(26)19-13-14-20-21(15-19)28-16-27-20/h3-15H,2,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.413 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -7.64144	SlogP: 5.8991	Reactive groups: 0

Topological Properties
Globularity: 0.0474574	Sterimol/B1: 2.30861	Sterimol/B2: 2.4841	Sterimol/B3: 4.40175
Sterimol/B4: 9.65774	Sterimol/L: 16.3186

Surface and Volume Properties
Accessible surface: 612.91	Positive charged surface: 379.754	Negative charged surface: 233.156	Volume: 360.375
Hydrophobic surface: 530.962	Hydrophilic surface: 81.948

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.