MMsINC Database Search


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MMsINC code: MMs00466021

Type: Neutral
Formula: C₂₄H₂₃NO

SMILES:

O=C(NC(C(CC=C)c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H23NO/c1-2-12-22(19-13-6-3-7-14-19)23(20-15-8-4-9-16-20)25-24(26)21-17-10-5-11-18-21/h2-11,13-18,22-23H,1,12H2,(H,25,26)/t22-,23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1106 kcal/mol

Physical Properties
Molecular Weight: 341.454 g/mol	logS: -6.00789	SlogP: 5.6131	Reactive groups: 0

Topological Properties
Globularity: 0.146897	Sterimol/B1: 2.16198	Sterimol/B2: 3.56531	Sterimol/B3: 4.58991
Sterimol/B4: 10.8015	Sterimol/L: 16.4293

Surface and Volume Properties
Accessible surface: 617.112	Positive charged surface: 355.929	Negative charged surface: 261.183	Volume: 365
Hydrophobic surface: 548.41	Hydrophilic surface: 68.702

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

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Ions/Tautomers related molecules: no related molecules available.