MMsINC Database Search


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MMsINC code: MMs02249257

Type: Neutral
Formula: C₂₆H₂₃NO

SMILES:

O=C(CCN1CCc2c(C1)cccc2)c1cc2c3c(ccc2cc1)cccc3

InChI:

InChI=1/C26H23NO/c28-26(14-16-27-15-13-19-5-1-2-7-23(19)18-27)22-12-11-21-10-9-20-6-3-4-8-24(20)25(21)17-22/h1-12,17H,13-16,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.123 kcal/mol

Physical Properties
Molecular Weight: 365.476 g/mol	logS: -7.17713	SlogP: 5.89047	Reactive groups: 0

Topological Properties
Globularity: 0.0221793	Sterimol/B1: 2.73433	Sterimol/B2: 3.39331	Sterimol/B3: 4.02714
Sterimol/B4: 6.09149	Sterimol/L: 20.6403

Surface and Volume Properties
Accessible surface: 653.525	Positive charged surface: 375.167	Negative charged surface: 256.216	Volume: 375.75
Hydrophobic surface: 618.972	Hydrophilic surface: 34.553

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: 0

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Ions/Tautomers related molecules

MMs02249258
NCID-ZINC01594898