MMsINC Database Search


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MMsINC code: MMs00515392

Type: Neutral
Formula: C₂₆H₂₀N₂O₂

SMILES:

OC1(N(C(=O)c2c1cccc2)c1ccc(cc1)Cc1ccncc1)c1ccccc1

InChI:

InChI=1/C26H20N2O2/c29-25-23-8-4-5-9-24(23)26(30,21-6-2-1-3-7-21)28(25)22-12-10-19(11-13-22)18-20-14-16-27-17-15-20/h1-17,30H,18H2/t26-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.292 kcal/mol

Physical Properties
Molecular Weight: 392.458 g/mol	logS: -5.85084	SlogP: 4.83767	Reactive groups: 0

Topological Properties
Globularity: 0.112441	Sterimol/B1: 2.46148	Sterimol/B2: 3.32288	Sterimol/B3: 5.46773
Sterimol/B4: 9.08821	Sterimol/L: 16.7022

Surface and Volume Properties
Accessible surface: 642.91	Positive charged surface: 384.047	Negative charged surface: 258.863	Volume: 382.125
Hydrophobic surface: 567.918	Hydrophilic surface: 74.992

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.