MMsINC Database Search


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MMsINC code: MMs02700559

Type: Neutral
Formula: C₂₃H₂₈N₂O

SMILES:

O=C1N(Cc2cc(ccc2C)C)C2(N(C1)c1c(cc(cc1)C)C2(C)C)C

InChI:

InChI=1/C23H28N2O/c1-15-7-9-17(3)18(11-15)13-25-21(26)14-24-20-10-8-16(2)12-19(20)22(4,5)23(24,25)6/h7-12H,13-14H2,1-6H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=184.274 kcal/mol

Physical Properties
Molecular Weight: 348.49 g/mol	logS: -5.68795	SlogP: 4.73446	Reactive groups: 0

Topological Properties
Globularity: 0.1445	Sterimol/B1: 2.02222	Sterimol/B2: 4.05995	Sterimol/B3: 4.73332
Sterimol/B4: 8.10363	Sterimol/L: 15.9059

Surface and Volume Properties
Accessible surface: 582.087	Positive charged surface: 366.149	Negative charged surface: 215.937	Volume: 361.25
Hydrophobic surface: 507.001	Hydrophilic surface: 75.086

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

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Ions/Tautomers related molecules: no related molecules available.