MMsINC Database Search


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MMsINC code: MMs02816782

Type: Neutral
Formula: C₂₃H₁₆N₂O₂

SMILES:

O=C1N(c2c(-n3c1c1c(cccc1)c3C(=O)c1ccccc1)cccc2)C

InChI:

InChI=1/C23H16N2O2/c1-24-18-13-7-8-14-19(18)25-20(22(26)15-9-3-2-4-10-15)16-11-5-6-12-17(16)21(25)23(24)27/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.486 kcal/mol

Physical Properties
Molecular Weight: 352.393 g/mol	logS: -6.021	SlogP: 4.4515	Reactive groups: 0

Topological Properties
Globularity: 0.132189	Sterimol/B1: 3.7687	Sterimol/B2: 4.92228	Sterimol/B3: 5.56361
Sterimol/B4: 7.89384	Sterimol/L: 13.7013

Surface and Volume Properties
Accessible surface: 572.386	Positive charged surface: 306.089	Negative charged surface: 258.345	Volume: 335
Hydrophobic surface: 503.1	Hydrophilic surface: 69.286

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.