MMsINC Database Search


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MMsINC code: MMs00510891

Type: Neutral
Formula: C₂₅H₂₁NO

SMILES:

O=C(NCc1c2c(ccc1)cccc2)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H21NO/c27-25(26-18-22-16-9-15-19-10-7-8-17-23(19)22)24(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-17,24H,18H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.001 kcal/mol

Physical Properties
Molecular Weight: 351.449 g/mol	logS: -6.88072	SlogP: 5.5545	Reactive groups: 0

Topological Properties
Globularity: 0.12961	Sterimol/B1: 3.31546	Sterimol/B2: 4.04803	Sterimol/B3: 5.31911
Sterimol/B4: 7.21885	Sterimol/L: 16.2789

Surface and Volume Properties
Accessible surface: 617.324	Positive charged surface: 342.373	Negative charged surface: 264.819	Volume: 363
Hydrophobic surface: 582.327	Hydrophilic surface: 34.997

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

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Ions/Tautomers related molecules: no related molecules available.