MMsINC Database Search


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MMsINC code: MMs02430332

Type: Neutral
Formula: C₂₅H₂₀N₂O

SMILES:

O=C(N1c2c(CC1c1c3c([nH]c1)cccc3)cccc2)\C=C/c1ccccc1

InChI:

InChI=1/C25H20N2O/c28-25(15-14-18-8-2-1-3-9-18)27-23-13-7-4-10-19(23)16-24(27)21-17-26-22-12-6-5-11-20(21)22/h1-15,17,24,26H,16H2/b15-14-/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.185 kcal/mol

Physical Properties
Molecular Weight: 364.448 g/mol	logS: -5.99637	SlogP: 5.60717	Reactive groups: 0

Topological Properties
Globularity: 0.104403	Sterimol/B1: 3.48272	Sterimol/B2: 3.65812	Sterimol/B3: 4.26079
Sterimol/B4: 9.2358	Sterimol/L: 16.2106

Surface and Volume Properties
Accessible surface: 615.931	Positive charged surface: 352.948	Negative charged surface: 261.85	Volume: 364.375
Hydrophobic surface: 570.836	Hydrophilic surface: 45.095

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

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Ions/Tautomers related molecules: no related molecules available.