MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00962877

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O=C1N(c2ccc(cc2)C)C(=O)N(c2c1cccc2)Cc1cc(ccc1)C

InChI:

InChI=1/C23H20N2O2/c1-16-10-12-19(13-11-16)25-22(26)20-8-3-4-9-21(20)24(23(25)27)15-18-7-5-6-17(2)14-18/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.108 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -6.26552	SlogP: 5.35684	Reactive groups: 0

Topological Properties
Globularity: 0.0898318	Sterimol/B1: 3.08174	Sterimol/B2: 4.53124	Sterimol/B3: 4.64019
Sterimol/B4: 7.7363	Sterimol/L: 16.7316

Surface and Volume Properties
Accessible surface: 617.873	Positive charged surface: 356.713	Negative charged surface: 261.16	Volume: 351.5
Hydrophobic surface: 561.064	Hydrophilic surface: 56.809

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.